 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer01_STD_B3LYPDBJ_def2SVPD.in
 Output=22_phenylethanamine_conformer01_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-3027.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      3029.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer01_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer01_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.111307000000     -1.069417000000     -0.102024000000
  C                                                 0.734884000000     -1.260349000000     -0.166437000000
  C                                                -0.144890000000     -0.185381000000     -0.068831000000
  C                                                 0.388544000000      1.093690000000      0.095425000000
  C                                                 1.760545000000      1.291465000000      0.161002000000
  C                                                 2.628739000000      0.208429000000      0.062356000000
  C                                                -1.647711000000     -0.410794000000     -0.128779000000
  N                                                -2.350691000000      0.384938000000     -1.140870000000
  C                                                -2.300778000000     -0.170753000000      1.231094000000
  H                                                -1.882449000000      0.311028000000     -2.037050000000
  H                                                -1.804291000000     -1.459889000000     -0.395933000000
  H                                                -1.843351000000     -0.797458000000      1.996908000000
  H                                                -3.367500000000     -0.390246000000      1.178808000000
  H                                                -2.178114000000      0.871199000000      1.538101000000
  H                                                -0.274240000000      1.947756000000      0.170051000000
  H                                                 2.155180000000      2.291537000000      0.289393000000
  H                                                 3.698964000000      0.362116000000      0.110832000000
  H                                                 2.777726000000     -1.918812000000     -0.183587000000
  H                                                 0.336513000000     -2.260101000000     -0.296821000000
  H                                                -2.347436000000      1.366960000000     -0.887454000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391095   0.000000
     3  C    2.423437   1.392510   0.000000
     4  C    2.772351   2.393747   1.395548   0.000000
     5  C    2.401246   2.769648   2.421689   1.387733   0.000000
     6  C    1.388397   2.407559   2.804517   2.408994   1.391567
     7  C    3.816375   2.529806   1.520814   2.541668   3.820716
     8  N    4.806639   3.630050   2.517953   3.087744   4.406691
     9  C    4.695881   3.515047   2.517513   3.181354   4.447193
    10  H    4.647584   3.580342   2.671969   3.212074   4.366245
    11  H    3.945980   2.557322   2.117777   3.401577   4.537420
    12  H    4.485398   3.397297   2.743481   3.489045   4.552166
    13  H    5.667374   4.404125   3.461761   4.181346   5.491896
    14  H    4.985492   3.991805   2.798677   2.952719   4.193574
    15  H    3.855929   3.379866   2.150365   1.083642   2.138025
    16  H    3.383954   3.852391   3.399084   2.143237   1.082758
    17  H    2.148313   3.390434   3.886804   3.390327   2.150273
    18  H    1.082700   2.146409   3.399947   3.855024   3.385155
    19  H    2.146059   1.084068   2.142006   3.377052   3.853711
    20  H    5.141325   4.113796   2.816224   2.919985   4.240338
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.325274   0.000000
     8  N    5.125781   1.466867   0.000000
     9  C    5.080341   1.527537   2.436698   0.000000
    10  H    4.976831   2.053686   1.013830   3.329846   0.000000
    11  H    4.758684   1.093841   2.063219   2.134382   2.415682
    12  H    4.975328   2.169408   3.391328   1.090170   4.183669
    13  H    6.128602   2.160528   2.648720   1.090324   3.610942
    14  H    5.071777   2.168714   2.728208   1.093144   3.630828
    15  H    3.385874   2.745629   2.910767   3.117812   3.183789
    16  H    2.148288   4.683956   5.097416   5.177377   5.063319
    17  H    1.082290   5.407563   6.177832   6.126650   5.980650
    18  H    2.146588   4.675641   5.703009   5.554119   5.488601
    19  H    3.387765   2.717594   3.863899   3.695295   3.816136
    20  H    5.196792   2.055629   1.014198   2.618202   1.628735
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483149   0.000000
    13  H    2.463243   1.777115   0.000000
    14  H    3.051918   1.762665   1.770586   0.000000
    15  H    3.778020   3.651810   4.006507   2.579781   0.000000
    16  H    5.497297   5.333456   6.203468   4.728009   2.456524
    17  H    5.819135   5.968178   7.186204   6.069292   4.278330
    18  H    4.609835   5.231285   6.477379   5.942114   4.938614
    19  H    2.287620   3.486018   4.403811   4.415351   4.277505
    20  H    2.920218   3.641202   2.897886   2.481485   2.398704
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477462   0.000000
    18  H    4.282326   2.477498   0.000000
    19  H    4.936457   4.283489   2.467554   0.000000
    20  H    4.744825   6.210092   6.128541   4.550604   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4368554           1.0875586           0.9903475
 Leave Link  202 at Thu Aug 12 20:38:34 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   268 symmetry adapted basis functions of A   symmetry.
   268 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.1332285289 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0347911612 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.0984373677 Hartrees.
 Leave Link  301 at Thu Aug 12 20:38:35 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   268 RedAO= T EigKep=  5.07D-06  NBF=   268
 NBsUse=   268 1.00D-06 EigRej= -1.00D+00 NBFU=   268
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 20:38:36 2021, MaxMem=  5368709120 cpu:               3.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:38:36 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer01_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:38:37 2021, MaxMem=  5368709120 cpu:               3.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368540348 LenY=  5368458111
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.016089324194    
 DIIS: error= 3.38D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.016089324194     IErMin= 1 ErrMin= 3.38D-03
 ErrMax= 3.38D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.14D-03 BMatP= 6.14D-03
 IDIUse=3 WtCom= 9.66D-01 WtEn= 3.38D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.221 Goal=   None    Shift=    0.000
 GapD=    0.221 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.34D-02 MaxDP=7.24D-01              OVMax= 1.88D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.54D-02    CP:  1.54D+00
 E= -366.021893668689     Delta-E=       -0.005804344495 Rises=F Damp=F
 DIIS: error= 4.43D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.021893668689     IErMin= 2 ErrMin= 4.43D-04
 ErrMax= 4.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.39D-05 BMatP= 6.14D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.43D-03
 Coeff-Com:  0.726D-04 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.723D-04 0.100D+01
 Gap=     0.224 Goal=   None    Shift=    0.000
 RMSDP=1.11D-03 MaxDP=3.80D-02 DE=-5.80D-03 OVMax= 4.96D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.18D-04    CP:  1.56D+00  1.04D+00
 E= -366.021854245222     Delta-E=        0.000039423467 Rises=F Damp=F
 DIIS: error= 5.81D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -366.021893668689     IErMin= 2 ErrMin= 4.43D-04
 ErrMax= 5.81D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-04 BMatP= 9.39D-05
 IDIUse=3 WtCom= 2.93D-01 WtEn= 7.07D-01
 Coeff-Com: -0.139D-01 0.574D+00 0.439D+00
 Coeff-En:   0.000D+00 0.577D+00 0.423D+00
 Coeff:     -0.406D-02 0.576D+00 0.428D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=2.51D-04 MaxDP=2.76D-02 DE= 3.94D-05 OVMax= 3.41D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.87D-04    CP:  1.56D+00  1.04D+00  5.11D-01
 E= -366.022002027557     Delta-E=       -0.000147782335 Rises=F Damp=F
 DIIS: error= 4.97D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.022002027557     IErMin= 4 ErrMin= 4.97D-05
 ErrMax= 4.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-06 BMatP= 9.39D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.556D-02 0.159D+00 0.142D+00 0.705D+00
 Coeff:     -0.556D-02 0.159D+00 0.142D+00 0.705D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=2.33D-05 MaxDP=8.88D-04 DE=-1.48D-04 OVMax= 7.78D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.25D-05    CP:  1.56D+00  1.04D+00  5.15D-01  9.90D-01
 E= -366.022002748087     Delta-E=       -0.000000720530 Rises=F Damp=F
 DIIS: error= 4.82D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.022002748087     IErMin= 5 ErrMin= 4.82D-05
 ErrMax= 4.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.84D-07 BMatP= 1.67D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.154D-02 0.164D-01 0.224D-01 0.440D+00 0.522D+00
 Coeff:     -0.154D-02 0.164D-01 0.224D-01 0.440D+00 0.522D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=2.11D-05 MaxDP=9.29D-04 DE=-7.21D-07 OVMax= 4.30D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.73D-06    CP:  1.56D+00  1.04D+00  5.05D-01  1.01D+00  6.35D-01
 E= -366.022003779082     Delta-E=       -0.000001030995 Rises=F Damp=F
 DIIS: error= 1.17D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.022003779082     IErMin= 6 ErrMin= 1.17D-05
 ErrMax= 1.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.15D-08 BMatP= 9.84D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.672D-03 0.288D-02 0.688D-02 0.233D+00 0.313D+00 0.445D+00
 Coeff:     -0.672D-03 0.288D-02 0.688D-02 0.233D+00 0.313D+00 0.445D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=4.88D-06 MaxDP=2.62D-04 DE=-1.03D-06 OVMax= 1.08D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.22D-06    CP:  1.56D+00  1.04D+00  5.04D-01  1.01D+00  6.66D-01
                    CP:  8.74D-01
 E= -366.022003843445     Delta-E=       -0.000000064363 Rises=F Damp=F
 DIIS: error= 2.61D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.022003843445     IErMin= 7 ErrMin= 2.61D-06
 ErrMax= 2.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-09 BMatP= 6.15D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.132D-04-0.208D-02-0.138D-02 0.210D-01 0.393D-01 0.187D+00
 Coeff-Com:  0.756D+00
 Coeff:     -0.132D-04-0.208D-02-0.138D-02 0.210D-01 0.393D-01 0.187D+00
 Coeff:      0.756D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=1.16D-06 MaxDP=3.98D-05 DE=-6.44D-08 OVMax= 1.87D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.38D-07    CP:  1.56D+00  1.04D+00  5.04D-01  1.02D+00  6.65D-01
                    CP:  8.90D-01  8.91D-01
 E= -366.022003846164     Delta-E=       -0.000000002719 Rises=F Damp=F
 DIIS: error= 3.80D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.022003846164     IErMin= 8 ErrMin= 3.80D-07
 ErrMax= 3.80D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.32D-11 BMatP= 2.55D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.198D-04-0.718D-03-0.662D-03-0.177D-02 0.112D-02 0.426D-01
 Coeff-Com:  0.249D+00 0.710D+00
 Coeff:      0.198D-04-0.718D-03-0.662D-03-0.177D-02 0.112D-02 0.426D-01
 Coeff:      0.249D+00 0.710D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=2.39D-07 MaxDP=2.05D-05 DE=-2.72D-09 OVMax= 2.79D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.64D-07    CP:  1.56D+00  1.04D+00  5.04D-01  1.02D+00  6.66D-01
                    CP:  8.92D-01  9.01D-01  8.59D-01
 E= -366.022003846253     Delta-E=       -0.000000000089 Rises=F Damp=F
 DIIS: error= 1.21D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.022003846253     IErMin= 9 ErrMin= 1.21D-07
 ErrMax= 1.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.95D-12 BMatP= 7.32D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.835D-05-0.182D-03-0.191D-03-0.160D-02-0.143D-02 0.737D-02
 Coeff-Com:  0.632D-01 0.313D+00 0.620D+00
 Coeff:      0.835D-05-0.182D-03-0.191D-03-0.160D-02-0.143D-02 0.737D-02
 Coeff:      0.632D-01 0.313D+00 0.620D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=5.95D-08 MaxDP=3.24D-06 DE=-8.91D-11 OVMax= 8.39D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.63D-08    CP:  1.56D+00  1.04D+00  5.04D-01  1.02D+00  6.66D-01
                    CP:  8.93D-01  9.02D-01  8.62D-01  8.75D-01
 E= -366.022003846268     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 4.08D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -366.022003846268     IErMin=10 ErrMin= 4.08D-08
 ErrMax= 4.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.05D-13 BMatP= 8.95D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.196D-05-0.159D-04-0.268D-04-0.569D-03-0.830D-03-0.713D-03
 Coeff-Com:  0.561D-02 0.815D-01 0.293D+00 0.622D+00
 Coeff:      0.196D-05-0.159D-04-0.268D-04-0.569D-03-0.830D-03-0.713D-03
 Coeff:      0.561D-02 0.815D-01 0.293D+00 0.622D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=2.25D-08 MaxDP=9.31D-07 DE=-1.51D-11 OVMax= 2.79D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.48D-08    CP:  1.56D+00  1.04D+00  5.04D-01  1.02D+00  6.66D-01
                    CP:  8.93D-01  9.04D-01  8.75D-01  8.89D-01  7.86D-01
 E= -366.022003846253     Delta-E=        0.000000000015 Rises=F Damp=F
 DIIS: error= 8.20D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -366.022003846268     IErMin=11 ErrMin= 8.20D-09
 ErrMax= 8.20D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.51D-14 BMatP= 9.05D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.136D-06 0.879D-05 0.428D-05-0.113D-03-0.263D-03-0.103D-02
 Coeff-Com: -0.332D-02 0.885D-02 0.725D-01 0.248D+00 0.675D+00
 Coeff:      0.136D-06 0.879D-05 0.428D-05-0.113D-03-0.263D-03-0.103D-02
 Coeff:     -0.332D-02 0.885D-02 0.725D-01 0.248D+00 0.675D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=5.02D-09 MaxDP=2.51D-07 DE= 1.53D-11 OVMax= 7.74D-08

 SCF Done:  E(RB3LYP) =  -366.022003846     A.U. after   11 cycles
            NFock= 11  Conv=0.50D-08     -V/T= 2.0117
 KE= 3.617793597992D+02 PE=-1.696668931856D+03 EE= 5.437691308427D+02
 Leave Link  502 at Thu Aug 12 20:39:55 2021, MaxMem=  5368709120 cpu:             624.2 elap:              78.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   268
 NBasis=   268 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    268 NOA=    33 NOB=    33 NVA=   235 NVB=   235

 **** Warning!!: The largest alpha MO coefficient is  0.75296284D+02

 Leave Link  801 at Thu Aug 12 20:39:56 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6045 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.29D-13 8.33D-09 XBig12= 1.00D+00 4.98D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.29D-13 8.33D-09 XBig12= 4.00D-01 1.20D-01.
     11 vectors produced by pass  2 Test12= 1.29D-13 8.33D-09 XBig12= 5.35D-02 5.25D-02.
     11 vectors produced by pass  3 Test12= 1.29D-13 8.33D-09 XBig12= 6.27D-03 1.70D-02.
     11 vectors produced by pass  4 Test12= 1.29D-13 8.33D-09 XBig12= 1.01D-03 1.05D-02.
     11 vectors produced by pass  5 Test12= 1.29D-13 8.33D-09 XBig12= 3.95D-05 1.02D-03.
     11 vectors produced by pass  6 Test12= 1.29D-13 8.33D-09 XBig12= 6.24D-07 1.30D-04.
     11 vectors produced by pass  7 Test12= 1.29D-13 8.33D-09 XBig12= 7.31D-09 1.23D-05.
     10 vectors produced by pass  8 Test12= 1.29D-13 8.33D-09 XBig12= 9.68D-11 1.25D-06.
      8 vectors produced by pass  9 Test12= 1.29D-13 8.33D-09 XBig12= 8.22D-13 9.92D-08.
      1 vectors produced by pass 10 Test12= 1.29D-13 8.33D-09 XBig12= 5.63D-15 1.01D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.136282D+03
      2 -0.363881D+00  0.107457D+03
      3  0.880842D+00  0.259166D+01  0.764606D+02
 Isotropic polarizability for W=    0.085645      106.73 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.709356D+02  0.654272D+00  0.163875D+01
      2  -0.117798D+02  0.312111D+00 -0.608123D+01
      3  -0.591558D+02 -0.966383D+00  0.444249D+01
      4   0.258198D+01  0.746734D+02  0.190486D+02
      5   0.136280D+02  0.192865D+02 -0.491697D+02
      6   0.830732D+01  0.770228D+01 -0.364844D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.231108D+00  0.280631D+01  0.187175D+01
      2   0.224540D+00  0.834491D+01 -0.201224D+02
      3  -0.590146D+01 -0.359134D+02 -0.864847D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.237916D+00  0.137835D+02 -0.601539D+00
      2  -0.119893D+02  0.107413D+02  0.998610D+01
      3   0.192771D+01 -0.864532D+02 -0.109792D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.922996D-01 -0.533435D+00  0.117320D+01
      2  -0.533435D+00 -0.175447D+01  0.445056D+01
      3   0.117320D+01  0.445056D+01  0.131211D+01
 OR G Eigenvalues:    -5.1754     0.0628     4.5779  Iso=     0.1782
 Eigenvectors:
   (1)   0.216080   0.786462  -0.578608
   (2)   0.966176  -0.257664   0.010592
   (3)   0.140757   0.561326   0.815537
 w=    0.085645 a.u., Optical Rotation Beta=      0.1782 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       69.75 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36046 ScalPx= 2.21D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.83D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.15D-14 2.78D-09 XBig12= 1.00D+00 4.48D-01.
     30 vectors produced by pass  1 Test12= 2.15D-14 2.78D-09 XBig12= 4.11D-02 3.82D-02.
     30 vectors produced by pass  2 Test12= 2.15D-14 2.78D-09 XBig12= 7.29D-04 5.92D-03.
     30 vectors produced by pass  3 Test12= 2.15D-14 2.78D-09 XBig12= 9.04D-06 4.61D-04.
     30 vectors produced by pass  4 Test12= 2.15D-14 2.78D-09 XBig12= 9.06D-08 3.74D-05.
     30 vectors produced by pass  5 Test12= 2.15D-14 2.78D-09 XBig12= 4.96D-10 2.74D-06.
     30 vectors produced by pass  6 Test12= 2.15D-14 2.78D-09 XBig12= 9.55D-13 9.40D-08.
      1 vectors produced by pass  7 Test12= 2.15D-14 2.78D-09 XBig12= 1.50D-15 3.98D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   211 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 7.67D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 7.67D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.10D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136282D+03 -0.363881D+00  0.880842D+00
      2  -0.363881D+00  0.107457D+03  0.259166D+01
      3   0.880842D+00  0.259166D+01  0.764606D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.231108D+00  0.280631D+01  0.187175D+01
      2   0.224540D+00  0.834491D+01 -0.201224D+02
      3  -0.590146D+01 -0.359134D+02 -0.864847D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.709356D+02  0.654272D+00  0.163875D+01
      2  -0.117798D+02  0.312111D+00 -0.608123D+01
      3  -0.591558D+02 -0.966383D+00  0.444249D+01
      4   0.258198D+01  0.746734D+02  0.190486D+02
      5   0.136280D+02  0.192865D+02 -0.491697D+02
      6   0.830732D+01  0.770228D+01 -0.364844D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.353817D+01 -0.711689D+00 -0.370514D+00 -0.563243D+01 -0.131183D+01
      2  -0.711689D+00  0.295086D+01  0.279453D+00 -0.131183D+01 -0.411553D+00
      3  -0.370514D+00  0.279453D+00  0.126110D+01 -0.544658D+00  0.518827D+00
                 6             7             8             9            10 
      1  -0.544658D+00 -0.157047D+01 -0.406002D+00  0.280462D+01  0.726883D+01
      2   0.518827D+00 -0.406002D+00  0.992295D+00 -0.340525D+01  0.249939D+01
      3  -0.158061D+01  0.280462D+01 -0.340525D+01 -0.877124D+00  0.903446D+00
                11            12            13            14            15 
      1   0.249939D+01  0.903446D+00 -0.817238D+01 -0.828855D-01 -0.190875D+00
      2  -0.228792D+01  0.194739D-01 -0.828855D-01 -0.116138D+01  0.684406D+00
      3   0.194739D-01 -0.613347D+00 -0.190875D+00  0.684406D+00 -0.218360D+01
                16            17            18            19            20 
      1  -0.865710D+00  0.686395D+00 -0.138597D+01 -0.207488D+02 -0.117641D+01
      2   0.686395D+00  0.763840D+00 -0.410695D+01 -0.117641D+01 -0.205028D+01
      3  -0.138597D+01 -0.410695D+01 -0.144255D+01 -0.674180D+00  0.117579D+00
                21            22            23            24            25 
      1  -0.674180D+00 -0.205127D+01  0.173005D+01  0.942898D+00 -0.440974D+00
      2   0.117579D+00  0.173005D+01 -0.712280D+00 -0.116609D+00  0.576264D+00
      3  -0.249317D+01  0.942898D+00 -0.116609D+00  0.243255D+00 -0.431770D+01
                26            27            28            29            30 
      1   0.576264D+00 -0.431770D+01  0.505439D+01 -0.677723D+00  0.681298D+00
      2  -0.365128D+00 -0.373833D+00 -0.677723D+00 -0.328891D+01 -0.369830D+00
      3  -0.373833D+00  0.984814D-01  0.681298D+00 -0.369830D+00 -0.110482D+01
                31            32            33            34            35 
      1   0.908155D+01 -0.814997D-01  0.474345D+00  0.145168D+01  0.574834D-01
      2  -0.814997D-01  0.762088D+00 -0.519774D+00  0.574834D-01 -0.852508D+00
      3   0.474345D+00 -0.519774D+00  0.178732D+01 -0.173762D+01  0.325484D+01
                36            37            38            39            40 
      1  -0.173762D+01 -0.597391D+01 -0.691972D+00 -0.695409D+00  0.608473D+01
      2   0.325484D+01 -0.691972D+00  0.180218D+01  0.981562D-02 -0.213964D+00
      3   0.713657D+00 -0.695409D+00  0.981562D-02  0.616811D+00  0.492180D-01
                41            42            43            44            45 
      1  -0.213964D+00  0.492180D-01  0.275807D+00 -0.373614D+00  0.196624D+01
      2   0.788315D+00 -0.683321D+00 -0.373614D+00 -0.732821D+00  0.401509D+01
      3  -0.683321D+00  0.184868D+01  0.196624D+01  0.401509D+01  0.133414D+01
                46            47            48            49            50 
      1   0.697113D+01  0.213632D+00  0.206560D+00  0.546700D-02 -0.334126D+00
      2   0.213632D+00  0.314999D+01  0.809699D-01 -0.334126D+00 -0.702252D-01
      3   0.206560D+00  0.809699D-01  0.240462D+01 -0.953866D+00 -0.765296D-01
                51            52            53            54            55 
      1  -0.953866D+00 -0.794209D-01 -0.682754D+00  0.567734D+01  0.484073D+01
      2  -0.765296D-01 -0.682754D+00 -0.286567D-01  0.646313D+00 -0.896693D-01
      3   0.236177D+00  0.567734D+01  0.646313D+00  0.565162D+00 -0.967612D+00
                56            57            58            59            60 
      1  -0.896693D-01 -0.967612D+00 -0.429688D+01  0.120389D+01 -0.136782D+01
      2  -0.200383D+00 -0.852294D+00  0.120389D+01  0.671844D+01  0.219034D+01
      3  -0.852294D+00  0.341568D+01 -0.136782D+01  0.219034D+01 -0.116964D+01
                61            62            63            64            65 
      1  -0.896507D-01 -0.103212D+01  0.648671D+01 -0.290909D+01  0.926098D+00
      2  -0.103212D+01  0.143373D+01 -0.180986D+00  0.926098D+00  0.139835D+00
      3   0.648671D+01 -0.180986D+00 -0.195692D+01 -0.695626D+00  0.961210D+00
                66            67            68            69            70 
      1  -0.695626D+00  0.372981D+01 -0.963486D+00  0.574864D+00 -0.259494D+01
      2   0.961210D+00 -0.963486D+00 -0.505958D+01 -0.117412D+01  0.670403D+00
      3  -0.475644D+01  0.574864D+00 -0.117412D+01  0.264574D+00 -0.500346D+01
                71            72            73            74            75 
      1   0.670403D+00 -0.500346D+01  0.896879D+01  0.213659D+01 -0.821226D+00
      2  -0.461163D+00  0.884381D-01  0.213659D+01 -0.962922D+00  0.769770D+00
      3   0.884381D-01  0.304958D+01 -0.821226D+00  0.769770D+00 -0.371646D+01
                76            77            78            79            80 
      1   0.347953D+01 -0.675108D+00  0.588116D+00  0.425340D+01  0.921720D+00
      2  -0.675108D+00 -0.373237D+01 -0.343494D+01  0.921720D+00 -0.273773D+01
      3   0.588116D+00 -0.343494D+01  0.209949D+01 -0.485141D+01  0.130175D+01
                81            82            83            84            85 
      1  -0.485141D+01  0.956935D-01 -0.121717D+00 -0.723099D+00 -0.781760D+00
      2   0.130175D+01 -0.121717D+00  0.281190D+00 -0.257240D+00 -0.711452D-01
      3   0.702299D+00 -0.723099D+00 -0.257240D+00  0.312187D+01  0.608934D-01
                86            87            88            89            90 
      1  -0.711452D-01  0.608934D-01 -0.165828D+01  0.104455D+00  0.846178D+00
      2   0.139831D+00 -0.916283D+00  0.104455D+00 -0.108371D+01  0.630160D+00
      3  -0.916283D+00 -0.461206D+00  0.846178D+00  0.630160D+00 -0.849269D+01
                91            92            93            94            95 
      1  -0.126233D+00 -0.129779D+01 -0.243108D+00 -0.224472D+01 -0.167663D+01
      2  -0.129779D+01 -0.104604D+01 -0.181250D+00 -0.167663D+01 -0.736091D+01
      3  -0.243108D+00 -0.181250D+00 -0.712730D+00 -0.150825D+00 -0.128506D+01
                96            97            98            99           100 
      1  -0.150825D+00 -0.108230D+00 -0.143248D+00 -0.101331D+01  0.162116D+00
      2  -0.128506D+01 -0.143248D+00 -0.142507D+01 -0.118576D+01 -0.822429D+00
      3  -0.158184D+01 -0.101331D+01 -0.118576D+01 -0.876600D+00  0.872540D+00
               101           102           103           104           105 
      1  -0.822429D+00  0.872540D+00 -0.124752D+01  0.205396D+00 -0.992023D-01
      2   0.866787D+00 -0.830255D+00  0.205396D+00 -0.194725D+01  0.231728D+01
      3  -0.830255D+00  0.236474D+01 -0.992023D-01  0.231728D+01 -0.296783D+01
               106           107           108           109           110 
      1   0.543230D+00 -0.286371D+00  0.510182D+00 -0.139736D+02 -0.167022D+01
      2  -0.286371D+00  0.193414D+01 -0.218382D+01 -0.167022D+01 -0.115296D+01
      3   0.510182D+00 -0.218382D+01  0.525001D+01  0.225519D+01  0.224359D+00
               111           112           113           114           115 
      1   0.225519D+01 -0.244144D+01 -0.157067D+01  0.485148D+00 -0.594020D+00
      2   0.224359D+00 -0.157067D+01 -0.433492D+00  0.576871D+00 -0.573934D-01
      3  -0.163759D+01  0.485148D+00  0.576871D+00 -0.654647D+00 -0.645272D+00
               116           117           118           119           120 
      1  -0.573934D-01 -0.645272D+00 -0.386724D+00  0.628394D+00  0.184714D+00
      2   0.972351D-01 -0.324371D+00  0.628394D+00  0.216389D+00 -0.151107D-01
      3  -0.324371D+00  0.693711D-01  0.184714D+00 -0.151107D-01  0.752258D+00
               121           122           123           124           125 
      1   0.183312D+01 -0.570922D+00 -0.831637D+00  0.163172D+00 -0.259719D+00
      2  -0.570922D+00  0.541464D+01  0.220764D+01 -0.259719D+00  0.153556D+01
      3  -0.831637D+00  0.220764D+01  0.244552D+01  0.107908D+00  0.113829D+01
               126           127           128           129           130 
      1   0.107908D+00 -0.367427D+01  0.225680D+01  0.834703D-01  0.280396D+01
      2   0.113829D+01  0.225680D+01 -0.253585D+01 -0.182291D+00 -0.293224D+01
      3   0.169209D+01  0.834703D-01 -0.182291D+00 -0.385207D+00 -0.225103D+00
               131           132           133           134           135 
      1  -0.293224D+01 -0.225103D+00  0.213795D+00 -0.347248D+00  0.109209D+00
      2   0.594472D+01  0.459275D+00 -0.347248D+00  0.535258D+00  0.802918D-01
      3   0.459275D+00  0.738135D+00  0.109209D+00  0.802918D-01  0.106866D+00
               136           137           138           139           140 
      1   0.227401D+01  0.270492D+01  0.341740D+00  0.245170D+01  0.404052D+01
      2   0.270492D+01  0.289187D+01  0.363315D+00  0.404052D+01  0.993154D+01
      3   0.341740D+00  0.363315D+00  0.350653D+00  0.516853D+00  0.113202D+01
               141           142           143           144           145 
      1   0.516853D+00  0.598175D+00  0.512824D+00  0.182858D+00  0.134712D+02
      2   0.113202D+01  0.512824D+00  0.120334D+01  0.283509D+00  0.147760D+01
      3   0.100166D+01  0.182858D+00  0.283509D+00  0.171057D+00  0.509570D+00
               146           147           148           149           150 
      1   0.147760D+01  0.509570D+00  0.143299D+01  0.180546D+01  0.230652D+00
      2   0.945660D+00  0.463827D-01  0.180546D+01  0.545766D+00  0.897234D-01
      3   0.463827D-01  0.908969D+00  0.230652D+00  0.897234D-01  0.139048D+00
               151           152           153           154           155 
      1   0.502346D+00  0.227684D+00  0.532956D-01  0.530706D+01 -0.410274D+01
      2   0.227684D+00  0.495375D-01  0.368016D-01 -0.410274D+01  0.367373D+01
      3   0.532956D-01  0.368016D-01  0.527012D-01 -0.325423D+00  0.253521D+00
               156           157           158           159           160 
      1  -0.325423D+00 -0.405623D+01  0.471298D+01  0.433866D+00 -0.358153D+00
      2   0.253521D+00  0.471298D+01 -0.685264D+01 -0.594068D+00  0.453300D+00
      3   0.570002D+00  0.433866D+00 -0.594068D+00 -0.799896D+00  0.210151D+00
               161           162           163           164           165 
      1   0.453300D+00  0.210151D+00 -0.151752D+01 -0.173315D+01 -0.237182D+00
      2  -0.753383D+00 -0.143517D+00 -0.173315D+01 -0.231073D+01 -0.302193D+00
      3  -0.143517D+00 -0.747989D-01 -0.237182D+00 -0.302193D+00 -0.213943D+00
               166           167           168           169           170 
      1  -0.175784D+01 -0.190033D+01 -0.305806D+00  0.105511D+00 -0.358115D+00
      2  -0.190033D+01 -0.912617D+01 -0.101978D+01 -0.358115D+00 -0.115106D+01
      3  -0.305806D+00 -0.101978D+01 -0.956658D+00  0.157836D+00 -0.272935D+00
               171           172           173           174           175 
      1   0.157836D+00 -0.156566D+01  0.252091D+00 -0.285152D+00  0.177962D+01
      2  -0.272935D+00  0.252091D+00 -0.108250D+01 -0.135388D+00 -0.131346D+01
      3  -0.129955D+00 -0.285152D+00 -0.135388D+00 -0.132998D+00  0.312940D+00
               176           177           178           179           180 
      1  -0.131346D+01  0.312940D+00  0.252722D+00 -0.263947D+00 -0.157776D+00
      2   0.662252D+01 -0.355901D+00 -0.263947D+00  0.104629D+01  0.701940D+00
      3  -0.355901D+00  0.155207D+01 -0.157776D+00  0.701940D+00  0.452246D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.154614D+01 -0.380287D+00  0.174316D+01 -0.165265D+01 -0.492711D+00
      2   0.267454D+00  0.896829D+00  0.262217D+01 -0.242820D+00  0.194306D+01
      3   0.794151D+01 -0.978818D+01 -0.136409D+00  0.996864D+01  0.183230D+01
                 6             7             8             9            10 
      1  -0.156065D+01  0.672581D+01  0.401952D+01  0.567024D+00  0.156438D+01
      2  -0.450594D+01 -0.324808D+01 -0.107284D+02 -0.205821D+01  0.282557D+00
      3  -0.358460D+00  0.982427D+00 -0.153700D+01  0.565942D+01 -0.108327D+02
                11            12            13            14            15 
      1   0.613502D+00 -0.115585D+01  0.393316D+00  0.404246D+00 -0.231436D+01
      2   0.888186D+00 -0.955946D+00  0.262333D+01 -0.307143D+00 -0.964543D+00
      3  -0.441400D+01 -0.171821D+01  0.348253D+01  0.658678D+01 -0.283948D+00
                16            17            18            19            20 
      1  -0.527125D+01  0.729143D+00 -0.412336D+00 -0.203508D+01 -0.224470D+00
      2  -0.125512D+02 -0.229886D+01 -0.118532D+01 -0.308000D+01 -0.208370D-01
      3  -0.163349D+00 -0.671768D+00  0.621061D+01  0.704589D+01  0.777943D+01
                21            22            23            24            25 
      1  -0.368014D-01 -0.149592D+01 -0.196920D+01  0.504343D+00 -0.110354D+01
      2  -0.185782D+01 -0.138333D+01  0.802060D+00 -0.114031D+01 -0.187099D+02
      3   0.107797D+01  0.223245D+02  0.130680D+01  0.671004D+00 -0.117611D+01
                26            27            28            29            30 
      1   0.102752D+02  0.163888D+01  0.475876D+00 -0.389164D+00  0.207345D+01
      2   0.252370D+00 -0.268607D+01  0.190328D+00  0.212094D+00 -0.105816D+01
      3   0.109247D+00  0.857718D+00 -0.360306D+01  0.824739D+00  0.193422D+00
                31            32            33            34            35 
      1   0.846446D+00  0.174105D+00 -0.135071D+01  0.764558D+01  0.341990D+01
      2   0.163948D+01  0.210216D+00  0.127409D+01 -0.128174D+02  0.848860D+00
      3  -0.432046D+01 -0.730434D+01 -0.740160D+00 -0.150105D+01  0.608466D+00
                36            37            38            39            40 
      1   0.439021D+00 -0.670068D+00  0.957247D+00 -0.190980D+01  0.652643D+00
      2   0.583490D+00  0.313849D+00  0.107317D+01  0.852456D+00  0.443903D+00
      3  -0.678983D+01  0.648379D+01 -0.151577D+02 -0.135572D+01  0.410714D+01
                41            42            43            44            45 
      1  -0.175006D-01 -0.255289D+01 -0.577673D+01  0.577775D+00 -0.729675D+00
      2  -0.152353D+01  0.409842D+01 -0.797025D+01  0.954843D+01  0.235176D+01
      3   0.292665D+00  0.118484D+01  0.133552D+01  0.186303D+01 -0.465197D+01
                46            47            48            49            50 
      1   0.759803D+00 -0.361359D+00 -0.543199D+00  0.331330D+00 -0.100970D+01
      2  -0.338082D+00 -0.769350D-01  0.603030D+01 -0.301232D+01 -0.283142D+00
      3  -0.485171D+01 -0.599244D+01 -0.102775D+00  0.114495D+02 -0.387312D+01
                51            52            53            54            55 
      1   0.144137D+01 -0.198250D+01  0.117717D+02  0.161927D+01 -0.444812D+00
      2   0.102898D+01  0.825970D+01  0.272959D+01  0.120709D+01  0.657398D+01
      3  -0.284060D+00  0.104662D+01  0.122471D+00 -0.198038D+01 -0.567222D+01
                56            57            58            59            60 
      1  -0.361539D+00  0.120445D+00  0.167334D+01  0.173776D+01 -0.267303D+01
      2   0.140231D+01 -0.340077D+01 -0.328505D+00 -0.566840D+01  0.243773D+01
      3   0.473183D+00 -0.115739D+01  0.122539D+02  0.145548D+02  0.694946D+01
                61            62            63            64            65 
      1   0.214832D+01  0.244401D+01 -0.120016D+01  0.337796D+00  0.310931D+01
      2  -0.172801D+02  0.329027D+00  0.337650D+01 -0.299967D+01 -0.209693D+01
      3  -0.952555D-01  0.616662D+01 -0.495091D+01  0.619167D+01 -0.100567D+02
                66            67            68            69            70 
      1   0.166775D+01 -0.660617D+00  0.869700D+01 -0.224114D+01 -0.709644D+00
      2   0.193379D+02  0.711550D+00  0.241946D+01  0.838460D-01  0.861141D+01
      3   0.343542D+01 -0.210207D+01 -0.178159D+02 -0.359712D+01  0.182741D+01
                71            72            73            74            75 
      1   0.492786D+01 -0.329355D+01  0.271899D+01 -0.247196D+01  0.626134D+00
      2   0.119917D+01 -0.143603D+02 -0.124598D+02 -0.482089D+01  0.140264D+02
      3  -0.468923D+01 -0.868299D+00  0.583739D+01 -0.712709D+01  0.138743D+01
                76            77            78            79            80 
      1  -0.170712D+00 -0.697277D+01 -0.839013D+01 -0.125288D+01 -0.346480D+01
      2  -0.319937D+01  0.109717D+02 -0.646491D+01  0.892994D+01 -0.441545D+01
      3  -0.990693D+00 -0.125547D+02 -0.110263D+02 -0.628334D+00 -0.105155D+02
                81            82            83            84            85 
      1   0.435881D+01 -0.168439D+00 -0.166147D+01 -0.149460D+01 -0.813664D+00
      2   0.429028D+01  0.513637D+01  0.192822D+00 -0.868842D+01 -0.155627D+01
      3   0.617094D+01 -0.732020D+00  0.992871D+00 -0.557241D+00  0.143937D+01
                86            87            88            89            90 
      1  -0.176951D+00  0.142787D+00 -0.805636D+00  0.267956D+01  0.247135D+01
      2   0.185171D+01  0.110110D+01 -0.803227D+01 -0.176247D+01  0.236114D+02
      3   0.753877D+00 -0.135863D+01 -0.208360D+00 -0.162514D+01  0.342941D+01
                91            92            93            94            95 
      1  -0.214160D+00 -0.102392D+00 -0.732269D+00 -0.315164D+00  0.957353D-02
      2   0.303677D+00  0.216285D+00  0.200574D+01  0.132291D+00  0.274498D+01
      3  -0.389793D+01 -0.262408D+01 -0.260867D+00  0.238594D+01 -0.141290D+02
                96            97            98            99           100 
      1  -0.329664D+01 -0.624758D+00  0.993243D+00 -0.922287D+00 -0.135725D+01
      2   0.308767D+01  0.333573D+00  0.170624D+01  0.163228D+01 -0.429469D+01
      3  -0.310010D+01  0.449845D+00 -0.308141D+01 -0.999492D+00 -0.292483D+01
               101           102           103           104           105 
      1   0.218997D+01 -0.840422D-01  0.106032D+01 -0.287697D+01  0.116861D+01
      2   0.321094D+01 -0.603081D+01  0.302467D+01 -0.640464D+01  0.760230D+01
      3   0.234031D+01 -0.225112D+01  0.293798D+01 -0.442426D+01  0.571275D+01
               106           107           108           109           110 
      1  -0.168922D+00  0.437623D+01 -0.176937D+01 -0.169954D+01 -0.229293D+01
      2  -0.521694D+01  0.620353D+01 -0.136432D+02  0.104259D+02  0.158170D+01
      3  -0.129254D+01  0.479257D+01 -0.589560D+01 -0.936478D+00 -0.598735D+01
               111           112           113           114           115 
      1  -0.747158D+00 -0.183944D+01 -0.480775D-01 -0.287384D+00 -0.255205D-02
      2   0.535818D+01  0.194615D+01 -0.192169D-01  0.176532D+01  0.781734D+00
      3   0.170523D+00 -0.260509D+01 -0.657764D+00  0.137561D+01  0.149919D+00
               116           117           118           119           120 
      1   0.829122D+00 -0.536505D+00  0.178445D+01  0.823526D+00 -0.431790D+00
      2   0.633265D+00  0.107334D+01 -0.111883D+01 -0.917467D+00 -0.140161D+01
      3   0.126004D+01 -0.631590D+00  0.311206D+01  0.100984D+01 -0.100559D+00
               121           122           123           124           125 
      1   0.263917D+00  0.104012D+02  0.938605D+00 -0.413452D+00  0.405732D+01
      2  -0.136677D+01 -0.605175D+01 -0.524806D+01 -0.158003D+01 -0.242874D+01
      3   0.221260D+01  0.161423D+02  0.582438D+01 -0.778289D+00  0.412768D+01
               126           127           128           129           130 
      1   0.165624D+01  0.397348D+00 -0.471304D+00  0.240621D+01  0.595390D-01
      2  -0.407610D+01  0.123682D+01 -0.221378D+00  0.923470D+00 -0.697363D+00
      3   0.296282D+01 -0.110297D+02  0.410226D+01 -0.466100D-01  0.737521D+01
               131           132           133           134           135 
      1   0.150229D+00 -0.301778D+01  0.202726D-01  0.200436D+01 -0.834354D-02
      2   0.582233D+00 -0.145664D+01 -0.184871D+01  0.123093D+00 -0.303736D+00
      3  -0.601469D+01 -0.753767D+00 -0.729402D+00 -0.932378D+00 -0.202872D+00
               136           137           138           139           140 
      1  -0.454899D-01  0.628988D-01 -0.157722D+01 -0.955351D-01  0.307362D+00
      2   0.355787D-01  0.228147D+00  0.144036D+01  0.262221D+00  0.152260D+01
      3  -0.733831D+00 -0.247674D+01 -0.202858D+00 -0.170953D+01 -0.143292D+02
               141           142           143           144           145 
      1  -0.437259D+01  0.636488D+00  0.160958D+01 -0.369793D+00 -0.484894D-01
      2   0.288848D+01 -0.569232D+00 -0.207904D+00  0.363526D+00  0.498987D+00
      3  -0.147661D+01 -0.587737D-01 -0.184527D+01 -0.318469D+00 -0.960369D+00
               146           147           148           149           150 
      1   0.183652D+00 -0.685327D+00  0.362488D-01  0.474943D-01 -0.398903D+00
      2  -0.857596D-02  0.603554D+01  0.796135D+00  0.188024D+00  0.856531D+00
      3  -0.528423D+01  0.314858D-01 -0.425154D+01 -0.175145D+01 -0.251063D+00
               151           152           153           154           155 
      1   0.508337D+00  0.414726D+00 -0.941609D-02  0.490590D-01 -0.294129D+00
      2  -0.259514D+01 -0.238060D+00  0.142394D+00 -0.149114D+00  0.879575D-01
      3  -0.668110D+00 -0.334101D+00  0.835405D-01  0.159873D+01 -0.474716D+01
               156           157           158           159           160 
      1   0.223811D+01  0.123496D+00  0.131029D+00 -0.324932D+01 -0.690776D+00
      2   0.289346D+01  0.583123D+00 -0.901262D+00 -0.327438D+01 -0.770329D+00
      3  -0.138981D+00 -0.381112D+01  0.113630D+02  0.874490D+00 -0.718779D+00
               161           162           163           164           165 
      1   0.133710D+01 -0.111214D+00  0.196050D+00  0.809184D-01 -0.140742D+01
      2   0.508963D+00 -0.237893D+00 -0.872752D+00 -0.664634D+00  0.231269D+00
      3   0.111763D+01 -0.104082D+00  0.610856D+01  0.396696D+01  0.563441D+00
               166           167           168           169           170 
      1  -0.789537D-01  0.448675D+00 -0.415912D+01  0.600783D+00  0.181728D+01
      2  -0.655290D+00 -0.136146D+01  0.483708D+00 -0.158580D+01 -0.106973D+00
      3   0.723584D+01  0.919149D+01  0.134991D+01  0.130654D+01  0.122273D+01
               171           172           173           174           175 
      1  -0.346482D+00 -0.542687D-01  0.989988D+00 -0.697812D-01  0.124246D+01
      2   0.482889D-01  0.486984D+00  0.133028D+00 -0.133559D+00  0.279200D+00
      3  -0.156191D+00  0.203902D+01 -0.156490D+01 -0.124859D+00  0.759140D+00
               176           177           178           179           180 
      1  -0.102406D+02 -0.256119D+01  0.333287D+00 -0.108785D+01 -0.174757D+01
      2  -0.715496D+00 -0.365340D+01 -0.282747D+00 -0.171331D+01 -0.563348D+00
      3   0.206479D+02 -0.278426D+00  0.920077D+00  0.384129D+01  0.217523D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.279140D+01  0.231845D+02  0.223498D+01 -0.293130D+02  0.390208D+01
      2  -0.222234D+01 -0.149070D+02 -0.147761D+00  0.276409D+02 -0.882830D+01
      3   0.501373D+01 -0.827749D+01 -0.208722D+01  0.167208D+01  0.492622D+01
      4   0.133875D+02  0.497454D+00  0.228571D+00 -0.335781D+01  0.119834D+02
      5   0.896710D+00  0.474093D+00  0.493852D+01 -0.375526D+01  0.476665D+01
      6  -0.757383D+00 -0.111133D+01 -0.586130D+01  0.368271D+01 -0.349539D+01
                 6             7             8             9            10 
      1  -0.172192D+00 -0.360987D+01  0.180808D+01  0.211280D+01  0.142353D+02
      2  -0.255222D+00  0.500992D+01 -0.403108D+01 -0.819533D+01 -0.846432D+01
      3   0.427414D+00 -0.140005D+01  0.222299D+01  0.608253D+01 -0.577094D+01
      4   0.443660D+01 -0.234463D+01  0.515536D+01 -0.171646D+02 -0.238512D+01
      5  -0.100513D+02  0.203201D+02 -0.169423D+02 -0.426725D+01 -0.125709D+01
      6   0.328670D+01 -0.873977D+01  0.120898D+02 -0.578931D+00  0.417437D+00
                11            12            13            14            15 
      1  -0.843998D+01 -0.611124D-01  0.108966D+01  0.110105D+02  0.286483D+01
      2   0.637903D+01 -0.117337D+00 -0.118372D+02 -0.174820D+02 -0.461004D+01
      3   0.206095D+01  0.178450D+00  0.107476D+02  0.647154D+01  0.174521D+01
      4  -0.169637D+02 -0.133021D+01  0.925504D+01 -0.150901D+02 -0.125410D+01
      5  -0.141655D+01 -0.368858D+01  0.111728D+01 -0.150933D+01  0.585199D+00
      6  -0.527275D+00  0.373434D+01 -0.354141D+01 -0.618992D+01  0.526456D+01
                16            17            18            19            20 
      1   0.434972D+00  0.226916D+01 -0.157904D+02 -0.171759D+02 -0.518328D+01
      2  -0.285474D+01 -0.621315D+01  0.365709D+01  0.160721D+01  0.399149D+01
      3   0.241976D+01  0.394399D+01  0.121333D+02  0.155687D+02  0.119179D+01
      4  -0.126826D+01 -0.152897D+01 -0.660744D+01 -0.449685D+01  0.289795D+01
      5   0.651589D+01 -0.510821D+01 -0.178641D+01  0.805440D+00 -0.119949D+01
      6   0.180585D+01  0.167766D+02  0.272364D+01 -0.317409D+01  0.269163D+00
                21            22            23            24            25 
      1  -0.514870D+00  0.121876D+00 -0.118059D+02 -0.601299D+00 -0.235606D+01
      2  -0.848721D+00 -0.371491D+01  0.188178D+02  0.355685D+01 -0.636663D+00
      3   0.136359D+01  0.359303D+01 -0.701186D+01 -0.295555D+01  0.299272D+01
      4  -0.103366D+01 -0.119043D+02 -0.962490D-01  0.259269D+00 -0.265382D+01
      5   0.483444D+01 -0.387150D+01  0.303486D-01 -0.168850D+01  0.687038D+01
      6   0.154885D+01 -0.192624D+01  0.332235D+01 -0.258324D+01  0.260227D+01
                26            27            28            29            30 
      1  -0.169903D+01 -0.592418D+01 -0.219686D+01  0.150613D+02  0.128020D+01
      2   0.296817D+01 -0.639876D+01  0.183487D+01 -0.109537D+02  0.109953D+01
      3  -0.126914D+01  0.123229D+02  0.361989D+00 -0.410750D+01 -0.237973D+01
      4   0.110348D+01  0.290486D+00  0.126329D+02 -0.126804D+02 -0.583818D+00
      5   0.180109D+00 -0.234177D+01 -0.195452D+01 -0.976121D+00 -0.297732D+01
      6   0.358254D+01 -0.135568D+01  0.144930D+01 -0.682232D+00 -0.527543D+01
                31            32            33            34            35 
      1  -0.652374D+01  0.483125D+01  0.201356D+01 -0.246650D+01  0.269152D+01
      2   0.177248D+02 -0.883892D+01 -0.137491D+01  0.544179D+01 -0.393738D+01
      3  -0.112011D+02  0.400767D+01 -0.638648D+00 -0.297529D+01  0.124586D+01
      4   0.498206D+01  0.149004D+02  0.209963D+01  0.181135D+01  0.778123D+00
      5   0.255271D-01  0.217488D+01 -0.194467D+01  0.100750D+01  0.897954D+00
      6   0.532996D+01 -0.280894D+01  0.422908D+01 -0.672768D+01  0.117964D+02
                36            37            38            39            40 
      1  -0.148928D+02  0.114019D+02 -0.196968D+02 -0.137786D+01  0.216531D+02
      2   0.308195D+01 -0.133504D+02  0.123247D+02 -0.349303D+00 -0.190128D+02
      3   0.118109D+02  0.194853D+01  0.737206D+01  0.172716D+01 -0.264029D+01
      4   0.283425D+01 -0.169168D+02 -0.554022D+01 -0.186157D+01  0.104012D+02
      5  -0.945737D+00  0.521440D+00 -0.155382D+01  0.399616D+00 -0.127674D+01
      6  -0.298043D+00 -0.308609D+01 -0.386620D+00  0.378483D+01 -0.255015D+01
                41            42            43            44            45 
      1   0.127439D+02  0.220368D+01  0.235577D+01  0.600985D+00 -0.588303D+01
      2  -0.190423D+02 -0.361615D+01 -0.433007D+01 -0.534724D+01 -0.230337D+01
      3   0.629840D+01  0.141248D+01  0.197429D+01  0.474625D+01  0.818641D+01
      4  -0.752398D+01 -0.369341D+01 -0.198879D+01 -0.563736D+01  0.155852D+02
      5  -0.333217D+01  0.845065D+01  0.123539D+02  0.159237D+02  0.515837D+01
      6  -0.618325D+01  0.553171D+01  0.734842D+01  0.159880D+02  0.224438D+01
                46            47            48            49            50 
      1  -0.150101D+02 -0.521960D+01 -0.250958D+01  0.105222D+02 -0.221159D+02
      2   0.116448D+02  0.397405D+01  0.136187D+01 -0.100917D+02  0.194253D+02
      3   0.336532D+01  0.124556D+01  0.114771D+01 -0.430566D+00  0.269056D+01
      4  -0.204231D+01  0.218919D+02  0.904513D+00 -0.186326D+02 -0.140379D+01
      5  -0.394227D+01  0.521191D+00  0.137409D+02 -0.493797D+01 -0.162398D+01
      6   0.137032D+01  0.295728D+00  0.187076D+01 -0.162672D+01  0.234652D+01
                51            52            53            54            55 
      1  -0.391961D+01 -0.163724D+01 -0.455554D+01  0.159146D+02  0.109388D+02
      2   0.432527D+01 -0.663856D+00  0.351351D+01 -0.179261D+02 -0.261722D+01
      3  -0.405663D+00  0.230110D+01  0.104203D+01  0.201149D+01 -0.832156D+01
      4  -0.135309D+01 -0.677512D+01 -0.821477D+00  0.448493D+01  0.584442D+01
      5   0.273628D+01  0.385430D+02  0.440869D+01  0.279503D+01  0.322106D+01
      6  -0.230474D+01  0.295652D+01  0.422647D+01 -0.187157D+01 -0.361278D-01
                56            57            58            59            60 
      1  -0.678565D-01  0.479811D+00  0.131088D+02  0.799107D+01  0.417230D+01
      2  -0.253268D+00 -0.293609D+01 -0.145592D+02 -0.162581D+02 -0.748921D+01
      3   0.321124D+00  0.245628D+01  0.145042D+01  0.826704D+01  0.331691D+01
      4  -0.725010D+01  0.255025D+01 -0.604559D+01 -0.279513D+02 -0.106124D+02
      5   0.201657D+01 -0.173320D+02  0.102029D+02 -0.903622D+01  0.724520D+01
      6  -0.160758D+01  0.173097D+01 -0.382465D+01 -0.546791D+01  0.511027D+00
                61            62            63            64            65 
      1  -0.219973D+01  0.271854D+01 -0.102845D+02  0.232705D+02  0.751313D+00
      2  -0.418940D+01 -0.313281D+01  0.120195D+02 -0.121582D+02 -0.213029D+01
      3   0.638913D+01  0.414268D+00 -0.173492D+01 -0.111123D+02  0.137898D+01
      4   0.774113D+01 -0.968572D+01  0.220647D+01 -0.662851D+01  0.115749D+02
      5  -0.402309D+02  0.113426D+01  0.794946D+01  0.908170D+01 -0.454220D+01
      6   0.705673D+00 -0.377884D+01  0.110689D+01 -0.373161D+01  0.491645D+01
                66            67            68            69            70 
      1  -0.767769D+01 -0.699598D+01  0.755085D+01 -0.217025D+01 -0.115735D+01
      2  -0.707402D+01  0.746770D+01 -0.121661D+02  0.367408D+00 -0.848157D+01
      3   0.147517D+02 -0.471714D+00  0.461527D+01  0.180284D+01  0.963892D+01
      4  -0.374257D+01  0.124063D+02  0.241845D+02  0.742470D+01 -0.502856D+01
      5   0.272692D+02 -0.632648D+01  0.886881D+01 -0.270863D+01  0.334861D+02
      6  -0.412370D+01  0.613198D+01  0.807504D+01  0.474031D+01 -0.384871D+01
                71            72            73            74            75 
      1   0.939210D+00  0.260081D+02 -0.540222D+02 -0.138848D+02  0.144263D+02
      2  -0.287909D+01 -0.801081D+01  0.258975D+02  0.481717D+01 -0.423947D+00
      3   0.193988D+01 -0.179973D+02  0.281247D+02  0.906764D+01 -0.140023D+02
      4   0.771453D+01 -0.398912D+01 -0.181364D+02  0.534893D+01 -0.142513D+01
      5  -0.112126D+01  0.282735D+01  0.191580D+02  0.165085D+01  0.143040D+02
      6   0.587689D+01 -0.134135D+01  0.711490D+01 -0.527974D+01  0.313902D+01
                76            77            78            79            80 
      1  -0.150738D+02  0.125522D+02 -0.569867D+01  0.140875D+01 -0.819072D+01
      2   0.981310D+01 -0.201638D+01 -0.113051D+01  0.105451D+02  0.391474D-01
      3   0.526074D+01 -0.105358D+02  0.682918D+01 -0.119539D+02  0.815157D+01
      4   0.253348D+01  0.203575D+02  0.152033D+02 -0.352961D+01  0.135686D+02
      5   0.260467D+01  0.116605D+02 -0.570122D+01  0.270130D+02 -0.283138D+01
      6  -0.953354D+00 -0.961336D+01 -0.124202D+02  0.276798D+01 -0.950757D+01
                81            82            83            84            85 
      1   0.188144D+02  0.104529D+01 -0.142021D+00  0.127850D+02  0.275742D+01
      2  -0.141878D+02 -0.245271D+01  0.275875D+00  0.350453D+01 -0.159136D+01
      3  -0.462655D+01  0.140742D+01 -0.133854D+00 -0.162895D+02 -0.116606D+01
      4  -0.469419D+01  0.592644D+00 -0.170140D+01 -0.327520D+00  0.113667D+01
      5  -0.131933D+02  0.166949D+01  0.997822D+00 -0.607340D+01  0.576240D-01
      6   0.854512D+01  0.491847D+00 -0.174651D+01  0.150064D+01 -0.164609D+00
                86            87            88            89            90 
      1  -0.406659D+01 -0.630855D+00  0.947484D+01  0.204439D+01 -0.292417D+02
      2   0.737238D+00 -0.458201D+00 -0.157323D+01 -0.610348D+00 -0.114757D+02
      3   0.332935D+01  0.108906D+01 -0.790160D+01 -0.143404D+01  0.407174D+02
      4  -0.114097D+01  0.297134D+01 -0.215738D+01  0.305431D+01 -0.352183D+00
      5   0.217061D+01  0.107277D+01  0.213679D+01 -0.233179D+01  0.256428D+02
      6  -0.854561D+00  0.670121D+01  0.555635D+00  0.463611D+01 -0.516871D+01
                91            92            93            94            95 
      1   0.148185D+01  0.344987D+01  0.120740D+01  0.622784D+00 -0.136964D+02
      2   0.291256D+01 -0.126032D+00  0.137145D+00  0.392759D+01  0.268527D+02
      3  -0.439441D+01 -0.332383D+01 -0.134454D+01 -0.455037D+01 -0.131563D+02
      4   0.764289D+01  0.106191D+02  0.181837D+01  0.114699D+02  0.315913D+02
      5   0.181767D+01  0.182800D+01  0.505760D+01  0.132020D+01  0.498974D+01
      6   0.222655D+01  0.983085D+00  0.283521D+00  0.120072D+01  0.805139D+01
                96            97            98            99           100 
      1  -0.242821D+01  0.564796D+00 -0.266672D+01 -0.303356D+01 -0.190492D+01
      2   0.386874D+01  0.640813D+00  0.261876D+01  0.203181D+01 -0.759677D+00
      3  -0.144053D+01 -0.120561D+01  0.479638D-01  0.100175D+01  0.266460D+01
      4   0.562548D+01  0.154442D+01  0.587871D+01  0.503527D+01  0.222809D+01
      5   0.688227D+01  0.599296D+01  0.464790D+01  0.324287D+01 -0.237563D+00
      6   0.566695D+01  0.161636D+01  0.809094D+01  0.361547D+01 -0.367722D+01
               101           102           103           104           105 
      1   0.692018D+01 -0.108816D+02  0.671901D+01 -0.116672D+02  0.114103D+02
      2  -0.231292D+01 -0.298518D+00 -0.359690D+01  0.488207D+01  0.106445D+00
      3  -0.460726D+01  0.111802D+02 -0.312211D+01  0.678513D+01 -0.115167D+02
      4  -0.195888D+01  0.148997D+01  0.165753D+01  0.669331D+01 -0.913654D+01
      5  -0.349241D+00 -0.312267D+01 -0.386438D+01 -0.678297D+01  0.960436D+01
      6   0.482585D+01 -0.507579D+01  0.920474D+00 -0.106090D+02  0.133559D+02
               106           107           108           109           110 
      1  -0.588681D+01  0.999399D+01 -0.222301D+02  0.832547D+02  0.957826D+01
      2   0.734388D+00  0.728677D+00 -0.609308D+01 -0.445332D+02 -0.377452D+01
      3   0.515242D+01 -0.107227D+02  0.283231D+02 -0.387214D+02 -0.580374D+01
      4  -0.986700D-01 -0.799729D+01  0.821197D+01  0.165915D+02  0.120125D+02
      5   0.386225D+01  0.662766D+01 -0.155745D+02 -0.338705D+02 -0.406304D+01
      6  -0.163107D+01  0.113842D+02 -0.142832D+02 -0.532588D+01 -0.377046D+01
               111           112           113           114           115 
      1  -0.884987D+01  0.111356D+02  0.683317D+01 -0.150055D-01  0.316236D+01
      2   0.852684D+01 -0.459305D+01 -0.256646D+01  0.132225D+01  0.916261D+00
      3   0.323025D+00 -0.654255D+01 -0.426671D+01 -0.130725D+01 -0.407862D+01
      4  -0.229533D+01  0.147193D+02  0.457643D+01 -0.340957D+01  0.560745D+00
      5   0.156523D+02 -0.611540D+01 -0.467823D+01  0.387745D+01  0.809963D+01
      6   0.161874D+01 -0.381725D+01 -0.902989D+00  0.316186D+01  0.938561D+00
               116           117           118           119           120 
      1   0.118094D+01  0.404256D+01  0.433030D+01 -0.277284D+01 -0.424741D+01
      2   0.459932D+00 -0.322710D+01 -0.134396D+01  0.179235D+01  0.307109D+00
      3  -0.164087D+01 -0.815464D+00 -0.298634D+01  0.980485D+00  0.394031D+01
      4  -0.870037D+00  0.235908D+01 -0.200440D+01  0.141155D+01  0.765943D+00
      5   0.186686D+01 -0.217313D+01 -0.242240D+01  0.192270D+01 -0.735317D+00
      6   0.196617D+01 -0.115766D+01  0.187688D+01  0.860918D+00  0.142594D+00
               121           122           123           124           125 
      1  -0.559187D+01 -0.913236D+01 -0.411853D+01 -0.137721D+01 -0.340929D+01
      2   0.362219D+01  0.805943D+01 -0.179937D+01  0.831000D+00 -0.764744D+00
      3   0.196967D+01  0.107292D+01  0.591790D+01  0.546206D+00  0.417403D+01
      4   0.625909D+01 -0.271384D+02 -0.108759D+02  0.139922D+01 -0.742974D+01
      5   0.771153D+01 -0.929799D+01 -0.116839D+02  0.178487D+01 -0.501411D+01
      6  -0.191823D+01  0.190303D+02  0.111687D+02 -0.109496D+01  0.975556D+01
               126           127           128           129           130 
      1  -0.713450D+01 -0.434257D+01  0.706450D+01  0.796840D+00  0.807306D+01
      2  -0.430532D+00  0.586190D+01 -0.103737D+02 -0.856642D+00 -0.113203D+02
      3   0.756503D+01 -0.151933D+01  0.330923D+01  0.598022D-01  0.324720D+01
      4  -0.538378D+01 -0.858266D+01  0.872059D+01  0.693871D+00  0.865888D+01
      5  -0.617082D+01 -0.793189D-01  0.724042D+00  0.227658D+01  0.439163D+00
      6   0.556094D+01  0.513569D+00 -0.780499D+00 -0.192539D+01 -0.118206D+01
               131           132           133           134           135 
      1  -0.212571D+02 -0.198087D+01  0.104600D+01 -0.159645D+01 -0.368526D+00
      2   0.289474D+02  0.171119D+01 -0.137876D+01  0.211270D+01  0.108896D+01
      3  -0.769029D+01  0.269683D+00  0.332764D+00 -0.516244D+00 -0.720434D+00
      4  -0.919554D+01 -0.468202D+00  0.109295D+01 -0.460592D+00 -0.175115D+01
      5  -0.745018D+00 -0.140110D+01  0.772798D+00 -0.341705D+00 -0.634905D+00
      6   0.257269D+01  0.485276D+01 -0.425628D-01  0.178650D+01  0.759922D+00
               136           137           138           139           140 
      1   0.520591D+01  0.470181D+01  0.533190D+00 -0.174220D+01 -0.174893D+02
      2   0.404583D+01  0.585443D+01  0.256732D+00  0.133470D+02  0.418797D+02
      3  -0.925174D+01 -0.105562D+02 -0.789922D+00 -0.116048D+02 -0.243903D+02
      4   0.191072D+02  0.241003D+02  0.273067D+01  0.252805D+02  0.495463D+02
      5   0.240289D+01  0.267029D+01  0.379438D+01  0.284990D+01  0.520610D+01
      6   0.179261D+01  0.212621D+01  0.227560D+01  0.312850D+01  0.736342D+01
               141           142           143           144           145 
      1  -0.211274D+01 -0.168886D+00 -0.181319D+01 -0.189585D+01  0.101380D+03
      2   0.344342D+01  0.149395D+01  0.411001D+01  0.258472D+01 -0.569560D+02
      3  -0.133069D+01 -0.132507D+01 -0.229681D+01 -0.688868D+00 -0.444239D+02
      4   0.547507D+01  0.313106D+01  0.608767D+01  0.257384D+01  0.161860D+02
      5   0.488097D+01  0.985472D+00  0.202093D+01  0.107268D+01  0.502833D+01
      6   0.752154D+01  0.173344D+01  0.385769D+01  0.173758D+01 -0.995670D+00
               146           147           148           149           150 
      1   0.101886D+02  0.329592D+01  0.899194D+01  0.103837D+02  0.101920D+01
      2  -0.502135D+01 -0.220449D+01 -0.377045D+01 -0.486058D+01 -0.789010D+00
      3  -0.516728D+01 -0.109143D+01 -0.522148D+01 -0.552313D+01 -0.230186D+00
      4   0.994492D+01  0.414413D+00  0.172259D+02  0.527252D+01  0.818348D+00
      5   0.397640D+00  0.999341D+01  0.200013D+01  0.791980D+00  0.130193D+01
      6   0.104825D+00  0.848988D+00  0.440832D+00 -0.732640D-01  0.162923D+01
               151           152           153           154           155 
      1   0.395845D+01  0.103840D+01  0.349213D+01  0.227959D+02 -0.146404D+02
      2  -0.231041D+01 -0.547031D+00 -0.235994D+01 -0.375351D+01 -0.965052D+00
      3  -0.164803D+01 -0.491365D+00 -0.113218D+01 -0.190423D+02  0.156054D+02
      4   0.222374D+01  0.860123D+00  0.676203D+00 -0.350564D+02  0.315506D+02
      5   0.318447D+01  0.391721D+00  0.730576D+00 -0.366189D+01  0.254132D+01
      6   0.225709D+00  0.754530D+00  0.146930D+00  0.136576D+01 -0.115379D+01
               156           157           158           159           160 
      1  -0.147988D+01 -0.916023D+01  0.370466D+01  0.437481D+00 -0.328228D+00
      2   0.560343D+00 -0.757741D+01  0.176254D+02  0.487190D+00 -0.809168D+00
      3   0.919533D+00  0.167376D+02 -0.213301D+02 -0.924671D+00  0.113740D+01
      4   0.229783D+01  0.354690D+02 -0.460681D+02 -0.386305D+01  0.348002D+01
      5   0.569887D+01  0.366684D+01 -0.413892D+01 -0.513103D+01  0.204087D+01
      6  -0.300722D+01 -0.229056D+01  0.304245D+01  0.545632D+01 -0.175685D+01
               161           162           163           164           165 
      1   0.744818D-01 -0.144169D+00 -0.537242D+01 -0.920731D+01 -0.128878D+01
      2   0.149330D+01  0.979793D+00  0.696899D+01  0.115564D+02  0.101387D+01
      3  -0.156778D+01 -0.835624D+00 -0.159657D+01 -0.234906D+01  0.274919D+00
      4  -0.403105D+01 -0.253921D+01  0.357099D+01  0.757918D+01  0.754762D+00
      5  -0.242457D+01 -0.851533D+00  0.475753D+00  0.548125D+00  0.126288D+01
      6   0.265399D+01  0.975512D+00  0.125565D+01  0.202800D+01  0.182238D+01
               166           167           168           169           170 
      1  -0.702034D+01 -0.353869D+02 -0.418051D+01 -0.135945D+01 -0.455285D+01
      2   0.886585D+01  0.484340D+02  0.416282D+01  0.175524D+01  0.552175D+01
      3  -0.184551D+01 -0.130470D+02  0.176830D-01 -0.395792D+00 -0.968894D+00
      4   0.511419D+01 -0.105995D+01 -0.430752D+00  0.785169D+00 -0.493854D-01
      5   0.904728D+00 -0.691919D+00  0.154398D-01 -0.104991D+00  0.639312D+00
      6   0.139781D+01  0.736081D+01  0.692192D+01  0.529304D+00  0.319173D+01
               171           172           173           174           175 
      1  -0.207797D+01  0.518515D+01 -0.213057D+01  0.302356D+01 -0.313165D+01
      2   0.277555D+01 -0.301651D+01  0.949786D-01 -0.209836D+01 -0.122909D+01
      3  -0.697579D+00 -0.216864D+01  0.203559D+01 -0.925196D+00  0.436074D+01
      4   0.127309D+01 -0.189860D+01  0.540153D+01  0.542299D+00  0.965317D+01
      5   0.147513D+00  0.322786D+01  0.399474D+00  0.116715D+01 -0.275280D+01
      6   0.167555D+01  0.909245D+00  0.635801D+00  0.967592D+00  0.244310D+01
               176           177           178           179           180 
      1  -0.652363D+01  0.217962D+01 -0.445816D+00  0.139634D+01 -0.245692D+01
      2   0.196740D+02  0.162659D+01 -0.727875D+00  0.216915D+01  0.141551D+01
      3  -0.131503D+02 -0.380621D+01  0.117369D+01 -0.356550D+01  0.104142D+01
      4  -0.328011D+02  0.166406D+01  0.207502D+01 -0.568925D+01 -0.304910D+01
      5   0.117713D+01 -0.634221D+01  0.164766D+01 -0.298770D+01 -0.746438D+00
      6  -0.123748D+02  0.376896D+01 -0.307999D+00  0.232905D+01 -0.445131D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:53:57 2021, MaxMem=  5368709120 cpu:            6721.1 elap:             841.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.31364 -10.21988 -10.19410 -10.19259 -10.19197
 Alpha  occ. eigenvalues --  -10.19071 -10.19033 -10.18963 -10.17860  -0.89063
 Alpha  occ. eigenvalues --   -0.85082  -0.76101  -0.74484  -0.71787  -0.62888
 Alpha  occ. eigenvalues --   -0.60696  -0.57545  -0.52360  -0.49805  -0.46833
 Alpha  occ. eigenvalues --   -0.46202  -0.44367  -0.43022  -0.42419  -0.39674
 Alpha  occ. eigenvalues --   -0.37976  -0.36800  -0.36122  -0.34913  -0.34152
 Alpha  occ. eigenvalues --   -0.26612  -0.26174  -0.24056
 Alpha virt. eigenvalues --   -0.01869  -0.01493   0.01504   0.03498   0.03837
 Alpha virt. eigenvalues --    0.05105   0.06404   0.06537   0.07196   0.09814
 Alpha virt. eigenvalues --    0.10275   0.11470   0.11995   0.12374   0.13577
 Alpha virt. eigenvalues --    0.14377   0.14570   0.15107   0.15423   0.15891
 Alpha virt. eigenvalues --    0.17537   0.18256   0.18684   0.19009   0.20754
 Alpha virt. eigenvalues --    0.21655   0.22463   0.22910   0.23717   0.24510
 Alpha virt. eigenvalues --    0.25175   0.25657   0.26508   0.26990   0.27619
 Alpha virt. eigenvalues --    0.28521   0.28595   0.29744   0.30554   0.31140
 Alpha virt. eigenvalues --    0.31817   0.32106   0.32679   0.33599   0.34038
 Alpha virt. eigenvalues --    0.34798   0.35131   0.35542   0.36986   0.37164
 Alpha virt. eigenvalues --    0.37438   0.38167   0.39045   0.39334   0.39826
 Alpha virt. eigenvalues --    0.40136   0.40290   0.40770   0.41545   0.41738
 Alpha virt. eigenvalues --    0.42139   0.42440   0.42854   0.43581   0.43821
 Alpha virt. eigenvalues --    0.44318   0.45454   0.45991   0.46900   0.47596
 Alpha virt. eigenvalues --    0.48381   0.48741   0.49463   0.50307   0.50813
 Alpha virt. eigenvalues --    0.51998   0.52786   0.53327   0.53536   0.54185
 Alpha virt. eigenvalues --    0.55426   0.57101   0.57797   0.58691   0.59530
 Alpha virt. eigenvalues --    0.59948   0.60888   0.61369   0.62045   0.62815
 Alpha virt. eigenvalues --    0.64551   0.65022   0.65318   0.67620   0.67872
 Alpha virt. eigenvalues --    0.68142   0.69425   0.69721   0.71231   0.73473
 Alpha virt. eigenvalues --    0.73933   0.75350   0.75791   0.77245   0.78761
 Alpha virt. eigenvalues --    0.80383   0.81821   0.82108   0.83049   0.84236
 Alpha virt. eigenvalues --    0.88114   0.89335   0.90889   0.93326   0.94801
 Alpha virt. eigenvalues --    0.95753   0.96762   0.97146   0.98181   0.99005
 Alpha virt. eigenvalues --    0.99518   1.01055   1.03055   1.03816   1.05158
 Alpha virt. eigenvalues --    1.06028   1.08897   1.10303   1.11785   1.12655
 Alpha virt. eigenvalues --    1.14173   1.15535   1.16552   1.17370   1.18065
 Alpha virt. eigenvalues --    1.19317   1.20647   1.22749   1.24010   1.25375
 Alpha virt. eigenvalues --    1.27262   1.28107   1.28725   1.31134   1.33736
 Alpha virt. eigenvalues --    1.35015   1.37007   1.39065   1.41117   1.43769
 Alpha virt. eigenvalues --    1.46010   1.48259   1.49549   1.53864   1.56672
 Alpha virt. eigenvalues --    1.58300   1.59372   1.59889   1.61539   1.63270
 Alpha virt. eigenvalues --    1.65561   1.69044   1.72442   1.73066   1.73284
 Alpha virt. eigenvalues --    1.75037   1.78080   1.80375   1.81899   1.83897
 Alpha virt. eigenvalues --    1.86091   1.88626   1.88942   1.89809   1.92033
 Alpha virt. eigenvalues --    1.92905   1.95839   1.97434   1.98745   2.00436
 Alpha virt. eigenvalues --    2.00799   2.03861   2.04529   2.05624   2.07772
 Alpha virt. eigenvalues --    2.08302   2.09765   2.12554   2.13947   2.16268
 Alpha virt. eigenvalues --    2.17748   2.21026   2.21784   2.23268   2.26744
 Alpha virt. eigenvalues --    2.28754   2.30022   2.30390   2.33077   2.36036
 Alpha virt. eigenvalues --    2.38772   2.40832   2.41898   2.45156   2.46555
 Alpha virt. eigenvalues --    2.47404   2.50714   2.52657   2.54665   2.57901
 Alpha virt. eigenvalues --    2.60764   2.65809   2.67644   2.70852   2.76550
 Alpha virt. eigenvalues --    2.83276   2.83577   2.85478   2.86217   2.88532
 Alpha virt. eigenvalues --    2.90014   2.95212   3.01431   3.02705   3.04152
 Alpha virt. eigenvalues --    3.07371   3.11317   3.14067   3.18604   3.21653
 Alpha virt. eigenvalues --    3.22597   3.33710   3.41344   3.64146   3.70636
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.867495  -0.629880   0.487041  -0.070533   0.743977  -0.150329
     2  C   -0.629880   8.263394  -0.688174  -0.011451  -0.256796   0.611308
     3  C    0.487041  -0.688174  10.794301  -1.402012   0.442436  -0.204751
     4  C   -0.070533  -0.011451  -1.402012   8.281028  -0.776522   0.611291
     5  C    0.743977  -0.256796   0.442436  -0.776522   7.322715  -0.280278
     6  C   -0.150329   0.611308  -0.204751   0.611291  -0.280278   6.786047
     7  C    0.039106  -0.617463   0.032542  -0.491072   0.067403   0.055310
     8  N   -0.005448   0.062743   0.259332  -0.031475  -0.013718  -0.003247
     9  C    0.001931  -0.009092   0.099792  -0.068628  -0.010073   0.004142
    10  H   -0.000655  -0.049832  -0.020550  -0.063494   0.001459   0.001647
    11  H    0.017071  -0.094001  -0.422153   0.127426   0.012126   0.001550
    12  H   -0.005797   0.060569  -0.063893   0.029666  -0.003136  -0.001392
    13  H    0.000029  -0.010089  -0.005325  -0.007175   0.000154  -0.000027
    14  H    0.000079  -0.010579  -0.086088   0.008106   0.002379   0.000694
    15  H    0.214926   0.017587  -1.223813   0.512174  -0.579199  -0.047152
    16  H   -0.099891   0.209208   0.124859  -0.523486   0.017023  -0.692268
    17  H   -0.526516  -0.035036   0.166464  -0.037006  -0.507505   0.178666
    18  H    0.187002  -0.580155   0.003021   0.175339  -0.070631  -0.652982
    19  H   -0.669238   0.246331  -1.294361   0.085008   0.228075  -0.094449
    20  H    0.001867   0.004421  -0.185903   0.033786   0.009147   0.000735
               7          8          9         10         11         12
     1  C    0.039106  -0.005448   0.001931  -0.000655   0.017071  -0.005797
     2  C   -0.617463   0.062743  -0.009092  -0.049832  -0.094001   0.060569
     3  C    0.032542   0.259332   0.099792  -0.020550  -0.422153  -0.063893
     4  C   -0.491072  -0.031475  -0.068628  -0.063494   0.127426   0.029666
     5  C    0.067403  -0.013718  -0.010073   0.001459   0.012126  -0.003136
     6  C    0.055310  -0.003247   0.004142   0.001647   0.001550  -0.001392
     7  C    6.486674  -0.709136   0.379181   0.291509   0.174194   0.000052
     8  N   -0.709136   8.773513   0.040811  -0.425737  -0.300410   0.065285
     9  C    0.379181   0.040811   4.125114   0.003524  -0.111497   0.189690
    10  H    0.291509  -0.425737   0.003524   1.196936   0.082057  -0.010085
    11  H    0.174194  -0.300410  -0.111497   0.082057   1.593216  -0.014445
    12  H    0.000052   0.065285   0.189690  -0.010085  -0.014445   0.975153
    13  H    0.196792  -0.091587   0.212521   0.009534   0.012797  -0.077381
    14  H    0.166356  -0.060246   0.208177   0.004646   0.030808  -0.043285
    15  H   -0.317716   0.034146   0.005251  -0.041930   0.013026   0.008889
    16  H    0.005711  -0.002853   0.000237   0.001449  -0.000237  -0.000242
    17  H   -0.005496   0.000331  -0.000279  -0.000112  -0.000051   0.000158
    18  H    0.015021  -0.000739   0.001344   0.000426  -0.003461  -0.001289
    19  H   -0.337226   0.017047  -0.030426  -0.017120   0.031900   0.029706
    20  H    0.301469  -0.583761   0.002224   0.052326   0.050758  -0.008590
              13         14         15         16         17         18
     1  C    0.000029   0.000079   0.214926  -0.099891  -0.526516   0.187002
     2  C   -0.010089  -0.010579   0.017587   0.209208  -0.035036  -0.580155
     3  C   -0.005325  -0.086088  -1.223813   0.124859   0.166464   0.003021
     4  C   -0.007175   0.008106   0.512174  -0.523486  -0.037006   0.175339
     5  C    0.000154   0.002379  -0.579199   0.017023  -0.507505  -0.070631
     6  C   -0.000027   0.000694  -0.047152  -0.692268   0.178666  -0.652982
     7  C    0.196792   0.166356  -0.317716   0.005711  -0.005496   0.015021
     8  N   -0.091587  -0.060246   0.034146  -0.002853   0.000331  -0.000739
     9  C    0.212521   0.208177   0.005251   0.000237  -0.000279   0.001344
    10  H    0.009534   0.004646  -0.041930   0.001449  -0.000112   0.000426
    11  H    0.012797   0.030808   0.013026  -0.000237  -0.000051  -0.003461
    12  H   -0.077381  -0.043285   0.008889  -0.000242   0.000158  -0.001289
    13  H    0.758857  -0.004486  -0.000774   0.000014  -0.000002   0.000034
    14  H   -0.004486   0.866378  -0.000806  -0.000551  -0.000040   0.000142
    15  H   -0.000774  -0.000806   2.728137  -0.629317   0.069185  -0.023948
    16  H    0.000014  -0.000551  -0.629317   2.918932  -0.674133   0.082853
    17  H   -0.000002  -0.000040   0.069185  -0.674133   2.640564  -0.682907
    18  H    0.000034   0.000142  -0.023948   0.082853  -0.682907   3.045660
    19  H   -0.003329  -0.002256   0.061352  -0.026385   0.078536  -0.783644
    20  H    0.001862   0.037433  -0.001332  -0.000011  -0.000023  -0.000036
              19         20
     1  C   -0.669238   0.001867
     2  C    0.246331   0.004421
     3  C   -1.294361  -0.185903
     4  C    0.085008   0.033786
     5  C    0.228075   0.009147
     6  C   -0.094449   0.000735
     7  C   -0.337226   0.301469
     8  N    0.017047  -0.583761
     9  C   -0.030426   0.002224
    10  H   -0.017120   0.052326
    11  H    0.031900   0.050758
    12  H    0.029706  -0.008590
    13  H   -0.003329   0.001862
    14  H   -0.002256   0.037433
    15  H    0.061352  -0.001332
    16  H   -0.026385  -0.000011
    17  H    0.078536  -0.000023
    18  H   -0.783644  -0.000036
    19  H    2.797997   0.002028
    20  H    0.002028   1.266476
 Mulliken charges:
               1
     1  C   -0.402236
     2  C   -0.483014
     3  C   -0.812764
     4  C   -0.380970
     5  C   -0.349035
     6  C   -0.124516
     7  C    0.266788
     8  N   -0.024851
     9  C    0.956055
    10  H   -0.015999
    11  H   -0.200674
    12  H   -0.129632
    13  H    0.007580
    14  H   -0.116864
    15  H    0.201314
    16  H    0.289086
    17  H    0.335205
    18  H    0.288948
    19  H    0.680455
    20  H    0.015125
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.113288
     2  C    0.197441
     3  C   -0.812764
     4  C   -0.179656
     5  C   -0.059949
     6  C    0.210688
     7  C    0.066114
     8  N   -0.025725
     9  C    0.717139
 Electronic spatial extent (au):  <R**2>=           1294.0001
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.9549    Y=              0.3468    Z=              0.1209  Tot=              1.0231
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -58.8213   YY=            -50.6178   ZZ=            -57.5648
   XY=             -0.9080   XZ=             -1.8283   YZ=              0.1715
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.1533   YY=              5.0501   ZZ=             -1.8968
   XY=             -0.9080   XZ=             -1.8283   YZ=              0.1715
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             32.2576  YYY=              3.1219  ZZZ=             -7.3151  XYY=             -2.2553
  XXY=              1.6563  XXZ=              9.9077  XZZ=             -6.0254  YZZ=              0.6260
  YYZ=             -1.7622  XYZ=              2.2019
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1274.9148 YYYY=           -327.0459 ZZZZ=           -207.4081 XXXY=             -1.9126
 XXXZ=            -33.3999 YYYX=             -7.7510 YYYZ=              2.7524 ZZZX=             10.9310
 ZZZY=             -5.3531 XXYY=           -242.9148 XXZZ=           -265.9495 YYZZ=            -98.6045
 XXYZ=              0.5671 YYXZ=              5.0674 ZZXY=             -1.9449
 N-N= 4.250984373677D+02 E-N=-1.696668931735D+03  KE= 3.617793597992D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:53:58 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.60881632D-01 1.47142918D-01 2.89654388D-02
 Polarizability= 1.25905636D+02-5.33705862D-01 1.01147794D+02
                 4.22351598D-01 2.65996868D+00 7.09134516D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.4396   -0.4404       -0.1838   -0.1819
 2      0.4396    0.4404       -1.2958   -1.2958      -14.4107  -14.4125
 3      0.1838    0.1819       29.9116   29.9106        1.2939    1.2958
 4      1.2958    1.2958       -0.0000    0.0000        0.1824    0.1819
 5    -15.5009  -15.4981       -0.1824   -0.1819       -0.4338   -0.4404
 6     -1.2939   -1.2958        0.4338    0.4404       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.3213    1.3213       -0.5458   -0.5458
 2      3.8875    3.8875        0.0000    0.0000       -0.5458   -0.5458
 3      3.8875    3.8875        1.3213    1.3213        0.0000    0.0000
 4      1.3213    1.3213       -3.8875   -3.8875      -43.2376  -43.2376
 5      0.5458    0.5458       89.7319   89.7319        3.8875    3.8875
 6    -46.4943  -46.4943       -0.5458   -0.5458       -1.3213   -1.3213
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0578    0.0000        1.6331    1.7617        0.8625    0.7278
 2     -1.7080   -1.7617        5.1567    5.1833       57.6860   57.6502
 3     -0.7421   -0.7278     -119.6652 -119.6426       -5.1327   -5.1833
 4     -5.1575   -5.1833        0.0041    0.0000       -0.7093   -0.7278
 5     61.9227   61.9924        0.6091    0.7278        1.7060    1.7617
 6      5.0954    5.1833       -1.8683   -1.7617        0.0662    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0344    0.0000       -4.0964   -4.0297       -3.1961   -3.0308
 2      4.1201    4.0297      -56.0838  -56.0358      -17.2210  -17.1520
 3      2.9925    3.0308      -16.9737  -16.8347       55.9516   56.0358
 4     56.0614   56.0358       -0.0584    0.0000        3.0907    3.0308
 5     33.8303   33.9868       -3.2809   -3.0308       -4.0731   -4.0297
 6    -55.9606  -56.0358        4.1159    4.0297        0.1113    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     47.4444   47.3759       -2.9464   -2.9468        6.0207    5.9258
 2    123.8705  123.8430       -1.7615   -1.6207        6.0339    5.9258
 3    123.8430  123.8430       -3.0967   -2.9468        7.8085    7.7200
 4     -1.2977   -1.3262      -76.4367  -76.4671      -20.9621  -21.0067
 5      1.7915    1.7942      -22.4265  -22.4342       76.4912   76.4671
 6     43.1485   43.4409       -2.1898   -1.7942        1.5158    1.3262
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4011   -3.6436   -0.0004    0.0004    0.0006    4.6940
 Low frequencies ---   24.7633  128.1845  212.2268
 Diagonal vibrational polarizability:
       15.5144911       8.8457676      21.4622711
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.7532               128.1837               212.2268
 Red. masses --      3.0053                 3.3459                 2.2565
 Frc consts  --      0.0011                 0.0324                 0.0599
 IR Inten    --      0.2393                 0.0500                 0.6238
 RamAct Fr= 1--      4.0722                 4.4472                 0.3465
  Dep-P Fr= 1--      0.7453                 0.7433                 0.2911
  Dep-U Fr= 1--      0.8540                 0.8528                 0.4510
 Alpha2 Fr= 1--      0.0003                 0.0005                 0.0036
 Beta2  Fr= 1--      0.5796                 0.6321                 0.0260
 AlphaG Fr= 1--      0.0009                 0.0010                -0.0004
 Gamma2 Fr= 1--     -0.5688                 0.0158                -0.0650
 Delta2 Fr= 1--     -0.5181                -0.1797                -0.0347
 Raman1 Fr= 1--      16.289                 17.789                  1.386
 ROA1   Fr= 1--     -71.182                 -4.229                 -7.348
 CID1   Fr= 1--      -4.370                 -0.238                 -5.302
 Raman2 Fr= 1--       6.956                  7.585                  0.313
 ROA2   Fr= 1--      -9.506                  1.818                 -1.281
 CID2   Fr= 1--      -1.367                  0.240                 -4.099
 Raman3 Fr= 1--      13.911                 15.170                  0.625
 ROA3   Fr= 1--     -71.182                 -4.229                 -7.348
 CID3   Fr= 1--      -5.117                 -0.279                -11.756
 RC180  Fr= 1--       0.708                  0.706                 -0.098
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.16    -0.01  -0.01   0.04     0.04   0.03   0.00
     2   6     0.01   0.01  -0.10    -0.00   0.02  -0.15     0.05  -0.09  -0.01
     3   6    -0.00  -0.02   0.06    -0.00   0.02  -0.17    -0.01  -0.13  -0.02
     4   6    -0.01  -0.03   0.17    -0.00   0.01  -0.10    -0.10  -0.10  -0.02
     5   6    -0.01  -0.01   0.12    -0.01  -0.01   0.10    -0.13   0.01  -0.00
     6   6     0.00   0.01  -0.05    -0.01  -0.03   0.20    -0.05   0.06   0.01
     7   6    -0.00  -0.02   0.07    -0.00   0.00  -0.04    -0.01  -0.03  -0.01
     8   7     0.05  -0.16  -0.09    -0.17  -0.08   0.02     0.09   0.09   0.01
     9   6    -0.05   0.20   0.00     0.21   0.09   0.05     0.08   0.10   0.02
    10   1     0.06  -0.36  -0.07    -0.34  -0.17  -0.06     0.15   0.14   0.04
    11   1    -0.00  -0.05   0.22    -0.02  -0.02   0.06    -0.16  -0.01  -0.00
    12   1    -0.08   0.33   0.12     0.37   0.18   0.03    -0.17  -0.16  -0.04
    13   1    -0.05   0.19  -0.00     0.21   0.03   0.26    -0.01   0.54   0.01
    14   1    -0.07   0.25  -0.15     0.21   0.12  -0.06     0.51   0.02   0.11
    15   1    -0.02  -0.04   0.31    -0.00   0.01  -0.13    -0.16  -0.15  -0.03
    16   1    -0.02  -0.02   0.21    -0.01  -0.03   0.20    -0.20   0.04   0.00
    17   1     0.00   0.02  -0.09    -0.02  -0.05   0.39    -0.07   0.14   0.03
    18   1     0.02   0.04  -0.29    -0.01  -0.01   0.09     0.11   0.08   0.02
    19   1     0.01   0.02  -0.19    -0.00   0.02  -0.22     0.12  -0.12  -0.01
    20   1     0.12  -0.12  -0.27    -0.11  -0.05  -0.07     0.15   0.07   0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    249.2262               265.1189               315.4935
 Red. masses --      1.1827                 1.1420                 2.9878
 Frc consts  --      0.0433                 0.0473                 0.1752
 IR Inten    --     25.7132                12.8287                 1.9843
 RamAct Fr= 1--      0.5852                 0.3163                 1.4118
  Dep-P Fr= 1--      0.3752                 0.7043                 0.2580
  Dep-U Fr= 1--      0.5456                 0.8265                 0.4102
 Alpha2 Fr= 1--      0.0047                 0.0003                 0.0164
 Beta2  Fr= 1--      0.0532                 0.0436                 0.0965
 AlphaG Fr= 1--      0.0041                 0.0008                -0.0091
 Gamma2 Fr= 1--     -0.2566                 0.0057                -0.8615
 Delta2 Fr= 1--      0.2582                 0.2289                -0.2437
 Raman1 Fr= 1--       2.341                  1.265                  5.647
 ROA1   Fr= 1--     -16.370                  7.875                -90.505
 CID1   Fr= 1--      -6.994                  6.224                -16.026
 Raman2 Fr= 1--       0.639                  0.523                  1.158
 ROA2   Fr= 1--      -8.224                 -1.693                -18.727
 CID2   Fr= 1--     -12.879                 -3.238                -16.167
 Raman3 Fr= 1--       1.277                  1.046                  2.317
 ROA3   Fr= 1--     -16.370                  7.875                -90.505
 CID3   Fr= 1--     -12.818                  7.531                -39.068
 RC180  Fr= 1--       0.091                  0.653                 -0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.02  -0.00  -0.01    -0.09  -0.03   0.03
     2   6     0.00  -0.02   0.02     0.02  -0.03  -0.01    -0.09   0.01   0.13
     3   6    -0.01  -0.03  -0.00     0.00  -0.04  -0.01    -0.03   0.05   0.02
     4   6    -0.03  -0.03   0.01    -0.02  -0.03  -0.01    -0.04   0.04   0.14
     5   6    -0.03   0.00  -0.01    -0.03  -0.01   0.00    -0.04   0.00   0.04
     6   6    -0.02   0.02  -0.02    -0.01   0.01   0.01    -0.08  -0.01  -0.13
     7   6    -0.01   0.01  -0.01     0.01  -0.02  -0.00     0.03   0.01  -0.09
     8   7     0.03   0.08   0.01     0.03   0.03   0.02     0.04  -0.03  -0.13
     9   6     0.02  -0.02   0.01    -0.01   0.05  -0.02     0.24  -0.03  -0.00
    10   1    -0.28  -0.38  -0.11     0.24   0.38   0.10     0.21   0.15  -0.05
    11   1    -0.06   0.03  -0.06    -0.02  -0.02   0.02     0.06   0.01  -0.08
    12   1     0.26   0.19   0.04     0.25   0.39   0.11     0.46  -0.03  -0.14
    13   1     0.08  -0.31   0.12     0.07  -0.33   0.10     0.24  -0.07   0.27
    14   1    -0.24   0.04  -0.12    -0.36   0.17  -0.28     0.30  -0.04   0.01
    15   1    -0.04  -0.04   0.03    -0.05  -0.05  -0.04    -0.04   0.03   0.22
    16   1    -0.05   0.01  -0.01    -0.05   0.00   0.00     0.01  -0.02   0.06
    17   1    -0.02   0.03  -0.03    -0.01   0.03   0.02    -0.07  -0.02  -0.30
    18   1     0.02   0.02   0.02     0.04   0.02  -0.01    -0.11  -0.04   0.04
    19   1     0.02  -0.03   0.03     0.04  -0.04  -0.02    -0.15   0.02   0.20
    20   1     0.60   0.15  -0.25    -0.31  -0.04   0.27    -0.23  -0.05  -0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    337.8994               412.9074               488.7767
 Red. masses --      3.4873                 2.9362                 3.0072
 Frc consts  --      0.2346                 0.2949                 0.4233
 IR Inten    --      3.2831                 0.2793                 3.0794
 RamAct Fr= 1--      1.3794                 0.0539                 3.7727
  Dep-P Fr= 1--      0.2618                 0.3074                 0.0600
  Dep-U Fr= 1--      0.4150                 0.4703                 0.1132
 Alpha2 Fr= 1--      0.0158                 0.0005                 0.0728
 Beta2  Fr= 1--      0.0954                 0.0042                 0.0712
 AlphaG Fr= 1--      0.0064                -0.0062                -0.0041
 Gamma2 Fr= 1--      0.8856                -0.3938                -0.1409
 Delta2 Fr= 1--      0.2154                -0.0304                -0.1775
 Raman1 Fr= 1--       5.517                  0.215                 15.091
 ROA1   Fr= 1--      91.908                -38.776                -19.208
 CID1   Fr= 1--      16.658               -180.003                 -1.273
 Raman2 Fr= 1--       1.145                  0.051                  0.854
 ROA2   Fr= 1--      19.531                 -9.208                 -1.962
 CID2   Fr= 1--      17.059               -181.772                 -2.296
 Raman3 Fr= 1--       2.290                  0.101                  1.709
 ROA3   Fr= 1--      91.908                -38.776                -19.208
 CID3   Fr= 1--      40.138               -382.747                -11.242
 RC180  Fr= 1--      -0.170                 -0.059                 -0.774
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.05     0.01   0.02  -0.20    -0.08  -0.05   0.00
     2   6    -0.10   0.04  -0.12    -0.01  -0.02   0.21    -0.05   0.01   0.00
     3   6    -0.03   0.06   0.03    -0.00   0.00  -0.00     0.05   0.06  -0.02
     4   6    -0.04   0.09  -0.13     0.01   0.02  -0.21    -0.03   0.10   0.01
     5   6    -0.04   0.02  -0.05    -0.00  -0.03   0.21    -0.04   0.03   0.02
     6   6    -0.10  -0.04   0.12     0.00   0.00  -0.00    -0.11  -0.03  -0.03
     7   6     0.04  -0.00   0.12    -0.00   0.00  -0.00     0.17  -0.12  -0.02
     8   7     0.26  -0.04  -0.05     0.00   0.00  -0.00     0.05  -0.03   0.21
     9   6     0.02  -0.07   0.12    -0.00  -0.00   0.00     0.04   0.03  -0.18
    10   1     0.55  -0.06   0.10    -0.02  -0.03  -0.01    -0.26  -0.02   0.05
    11   1     0.07  -0.01   0.14    -0.01   0.00  -0.00     0.24  -0.12  -0.06
    12   1     0.08  -0.10   0.07    -0.00  -0.01  -0.00    -0.21   0.16   0.07
    13   1     0.03  -0.17   0.13    -0.00  -0.00   0.00     0.02   0.18  -0.41
    14   1    -0.06  -0.09   0.20     0.01  -0.01   0.01     0.09   0.09  -0.40
    15   1    -0.03   0.10  -0.22     0.02   0.05  -0.45    -0.05   0.08   0.03
    16   1     0.02   0.00  -0.08    -0.01  -0.05   0.44     0.05  -0.01   0.04
    17   1    -0.10  -0.10   0.29     0.00   0.00  -0.02    -0.11  -0.05  -0.05
    18   1    -0.12  -0.02  -0.08     0.01   0.05  -0.46    -0.07  -0.04   0.03
    19   1    -0.16   0.08  -0.20    -0.01  -0.05   0.45    -0.16   0.05   0.03
    20   1     0.22  -0.03  -0.08     0.01   0.01  -0.02     0.27  -0.06   0.30
                     10                     11                     12
                      A                      A                      A
 Frequencies --    551.0679               598.3501               638.6372
 Red. masses --      2.8614                 3.0079                 6.3589
 Frc consts  --      0.5120                 0.6345                 1.5281
 IR Inten    --     20.9867                 8.0942                 0.0177
 RamAct Fr= 1--      0.3021                 1.6247                 4.2867
  Dep-P Fr= 1--      0.5089                 0.7371                 0.7289
  Dep-U Fr= 1--      0.6745                 0.8486                 0.8432
 Alpha2 Fr= 1--      0.0014                 0.0004                 0.0016
 Beta2  Fr= 1--      0.0340                 0.2298                 0.6024
 AlphaG Fr= 1--      0.0038                -0.0001                -0.0020
 Gamma2 Fr= 1--      0.0917                 0.3583                -0.0383
 Delta2 Fr= 1--      0.0025                 0.1578                -0.0231
 Raman1 Fr= 1--       1.208                  6.499                 17.147
 ROA1   Fr= 1--       8.886                 39.449                 -4.416
 CID1   Fr= 1--       7.355                  6.070                 -0.258
 Raman2 Fr= 1--       0.408                  2.758                  7.229
 ROA2   Fr= 1--       2.182                  7.337                 -0.735
 CID2   Fr= 1--       5.355                  2.661                 -0.102
 Raman3 Fr= 1--       0.815                  5.515                 14.458
 ROA3   Fr= 1--       8.886                 39.449                 -4.416
 CID3   Fr= 1--      10.903                  7.153                 -0.305
 RC180  Fr= 1--       0.349                  0.697                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.13     0.01  -0.09  -0.02     0.29  -0.21  -0.02
     2   6    -0.00   0.01   0.06     0.04  -0.17  -0.01     0.21   0.22   0.03
     3   6    -0.01  -0.03   0.26     0.16  -0.03   0.03    -0.00   0.13   0.02
     4   6    -0.00  -0.00   0.06    -0.01   0.01   0.01    -0.27   0.17   0.01
     5   6     0.01   0.01  -0.13    -0.06   0.08  -0.01    -0.22  -0.26  -0.04
     6   6     0.00  -0.02   0.19    -0.16   0.00   0.02     0.00  -0.14  -0.02
     7   6    -0.01  -0.03  -0.06     0.16   0.23   0.04     0.01   0.04   0.01
     8   7    -0.06   0.02  -0.01    -0.04  -0.01  -0.02    -0.01   0.02  -0.02
     9   6     0.07   0.00  -0.08    -0.00   0.01   0.01    -0.01   0.01   0.03
    10   1    -0.19   0.02  -0.08    -0.22  -0.09  -0.10    -0.02   0.00  -0.02
    11   1     0.03  -0.01  -0.14     0.14   0.21   0.10     0.04   0.03   0.01
    12   1     0.15   0.05  -0.09    -0.08  -0.15  -0.07    -0.00  -0.02   0.00
    13   1     0.05   0.06   0.08     0.05  -0.17  -0.28    -0.00  -0.01   0.01
    14   1     0.18   0.02  -0.18    -0.25  -0.06   0.32    -0.03  -0.00   0.08
    15   1     0.02   0.04  -0.26    -0.18  -0.12  -0.05    -0.15   0.26   0.03
    16   1     0.02   0.05  -0.49     0.01   0.06  -0.05    -0.06  -0.33  -0.03
    17   1     0.00  -0.03   0.20    -0.16   0.02   0.00    -0.06   0.29   0.04
    18   1     0.00   0.05  -0.49     0.17   0.04  -0.06     0.18  -0.30  -0.02
    19   1     0.01   0.04  -0.24    -0.04  -0.13  -0.04     0.05   0.28   0.04
    20   1    -0.05   0.01   0.01    -0.41   0.04  -0.24    -0.04   0.03  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.2166               764.0481               778.7930
 Red. masses --      1.6891                 3.4832                 1.9567
 Frc consts  --      0.5048                 1.1980                 0.6992
 IR Inten    --     50.6057                25.9129                20.2511
 RamAct Fr= 1--      0.0803                10.2127                 0.9798
  Dep-P Fr= 1--      0.7353                 0.0168                 0.4250
  Dep-U Fr= 1--      0.8475                 0.0331                 0.5965
 Alpha2 Fr= 1--      0.0000                 0.2182                 0.0066
 Beta2  Fr= 1--      0.0113                 0.0563                 0.0974
 AlphaG Fr= 1--      0.0002                -0.0514                -0.0086
 Gamma2 Fr= 1--      0.0255                 0.4064                 0.1485
 Delta2 Fr= 1--      0.0171                -0.0472                -0.0070
 Raman1 Fr= 1--       0.321                 40.851                  3.919
 ROA1   Fr= 1--       2.998                 37.507                 14.037
 CID1   Fr= 1--       9.330                  0.918                  3.581
 Raman2 Fr= 1--       0.136                  0.675                  1.169
 ROA2   Fr= 1--       0.476                 10.132                  3.621
 CID2   Fr= 1--       3.496                 15.002                  3.098
 Raman3 Fr= 1--       0.272                  1.351                  2.338
 ROA3   Fr= 1--       2.998                 37.507                 14.037
 CID3   Fr= 1--      11.010                 27.768                  6.004
 RC180  Fr= 1--       0.695                 -0.934                  0.193
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.14     0.08  -0.15  -0.01    -0.01   0.01   0.01
     2   6    -0.00  -0.01   0.07     0.08  -0.12  -0.03    -0.00   0.02  -0.08
     3   6     0.00   0.01  -0.09     0.10   0.01   0.05    -0.01  -0.03   0.22
     4   6    -0.00  -0.01   0.06     0.04   0.18  -0.01    -0.00  -0.01  -0.09
     5   6     0.00   0.02  -0.14     0.07   0.18   0.03    -0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.07    -0.16  -0.02  -0.03     0.02   0.02  -0.13
     7   6     0.00  -0.00   0.00    -0.12  -0.15  -0.03     0.00   0.02   0.00
     8   7    -0.00  -0.00  -0.00    -0.08   0.04  -0.08     0.01   0.00   0.01
     9   6     0.00   0.00   0.00    -0.07  -0.02   0.08     0.02  -0.01  -0.05
    10   1     0.05   0.03   0.02     0.21   0.15   0.05    -0.14  -0.04  -0.06
    11   1    -0.01  -0.00   0.02    -0.08  -0.12  -0.14     0.03   0.03  -0.04
    12   1    -0.02  -0.01   0.00     0.04   0.12   0.13     0.09  -0.01  -0.09
    13   1     0.00  -0.01  -0.03    -0.12   0.16   0.41     0.02   0.00   0.03
    14   1    -0.03  -0.00   0.02     0.18   0.03  -0.18     0.07  -0.01  -0.05
    15   1    -0.02  -0.06   0.51    -0.03   0.12   0.03    -0.00  -0.02   0.00
    16   1    -0.01  -0.03   0.22     0.30   0.08   0.12    -0.05  -0.06   0.50
    17   1    -0.02  -0.07   0.56    -0.15  -0.06   0.09    -0.00  -0.06   0.56
    18   1    -0.01  -0.03   0.21     0.25  -0.02   0.11    -0.03  -0.06   0.52
    19   1    -0.02  -0.06   0.50    -0.04  -0.08  -0.00     0.00   0.00   0.01
    20   1     0.04  -0.00   0.02     0.33   0.01   0.10    -0.15   0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    852.3730               871.8380               916.5275
 Red. masses --      1.2717                 1.6578                 1.7408
 Frc consts  --      0.5444                 0.7424                 0.8616
 IR Inten    --     11.7229               181.8486                 1.1431
 RamAct Fr= 1--      1.6611                 3.9405                 3.7552
  Dep-P Fr= 1--      0.5539                 0.0904                 0.5618
  Dep-U Fr= 1--      0.7129                 0.1658                 0.7194
 Alpha2 Fr= 1--      0.0062                 0.0706                 0.0134
 Beta2  Fr= 1--      0.1974                 0.1089                 0.4503
 AlphaG Fr= 1--      0.0075                 0.0719                 0.0051
 Gamma2 Fr= 1--     -0.0018                -0.6927                 1.1311
 Delta2 Fr= 1--      0.1817                 0.0110                -0.4639
 Raman1 Fr= 1--       6.644                 15.762                 15.021
 ROA1   Fr= 1--       5.640                -66.150                 93.737
 CID1   Fr= 1--       0.849                 -4.197                  6.240
 Raman2 Fr= 1--       2.368                  1.306                  5.403
 ROA2   Fr= 1--      -1.497                -16.713                 30.856
 CID2   Fr= 1--      -0.632                -12.794                  5.711
 Raman3 Fr= 1--       4.737                  2.613                 10.806
 ROA3   Fr= 1--       5.640                -66.150                 93.737
 CID3   Fr= 1--       1.191                -25.319                  8.674
 RC180  Fr= 1--       0.426                 -0.668                  0.439
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.07     0.02  -0.02   0.02    -0.03   0.03  -0.00
     2   6    -0.00  -0.01   0.07     0.00  -0.01   0.02    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.02    -0.00   0.00  -0.04     0.02   0.01  -0.05
     4   6     0.00   0.00  -0.09     0.00   0.03  -0.00    -0.01  -0.03   0.07
     5   6    -0.00   0.00  -0.06     0.02   0.04  -0.03    -0.01  -0.03  -0.02
     6   6     0.00   0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.07
     7   6     0.01   0.01   0.01    -0.07  -0.01  -0.07     0.10  -0.06  -0.04
     8   7    -0.04  -0.00  -0.01     0.17  -0.01   0.07    -0.01   0.04  -0.06
     9   6     0.01   0.00  -0.01    -0.06   0.00   0.02    -0.02  -0.02   0.14
    10   1     0.12   0.04   0.06    -0.55  -0.16  -0.25    -0.16   0.07  -0.14
    11   1     0.02  -0.00   0.04    -0.09  -0.01  -0.09     0.14  -0.03  -0.15
    12   1    -0.01  -0.01  -0.00     0.11   0.01  -0.07    -0.23   0.14   0.39
    13   1     0.02  -0.01  -0.06    -0.09   0.06   0.30    -0.04   0.10  -0.03
    14   1    -0.03   0.00   0.01     0.10  -0.01  -0.01    -0.02   0.05  -0.10
    15   1    -0.01  -0.06   0.52    -0.02  -0.00   0.14     0.00   0.02  -0.39
    16   1    -0.03  -0.06   0.44     0.06  -0.00   0.16    -0.04  -0.03   0.07
    17   1     0.00   0.01  -0.01    -0.01  -0.01  -0.05    -0.00  -0.07   0.46
    18   1     0.01   0.06  -0.46     0.04   0.01  -0.16    -0.07   0.01  -0.01
    19   1     0.02   0.06  -0.49    -0.00   0.01  -0.10     0.01   0.07  -0.43
    20   1     0.13  -0.00   0.02    -0.56  -0.01  -0.06    -0.08   0.03  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    927.3685               957.6200               973.8325
 Red. masses --      1.6496                 1.3590                 1.2313
 Frc consts  --      0.8359                 0.7343                 0.6880
 IR Inten    --      1.5719                 0.4671                 0.1439
 RamAct Fr= 1--      2.5522                 0.0756                 0.0128
  Dep-P Fr= 1--      0.6123                 0.7497                 0.7424
  Dep-U Fr= 1--      0.7596                 0.8570                 0.8522
 Alpha2 Fr= 1--      0.0065                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3231                 0.0108                 0.0018
 AlphaG Fr= 1--     -0.0115                 0.0002                -0.0004
 Gamma2 Fr= 1--     -1.9754                 0.3385                 0.1302
 Delta2 Fr= 1--      0.2317                -0.0542                -0.0815
 Raman1 Fr= 1--      10.209                  0.302                  0.051
 ROA1   Fr= 1--    -182.226                 30.764                  9.894
 CID1   Fr= 1--     -17.850                101.745                192.594
 Raman2 Fr= 1--       3.877                  0.130                  0.022
 ROA2   Fr= 1--     -49.263                  8.558                  3.777
 CID2   Fr= 1--     -12.706                 66.058                172.571
 Raman3 Fr= 1--       7.754                  0.259                  0.044
 ROA3   Fr= 1--    -182.226                 30.764                  9.894
 CID3   Fr= 1--     -23.501                118.727                226.009
 RC180  Fr= 1--       0.519                  0.714                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.01     0.00  -0.01   0.08     0.00   0.01  -0.08
     2   6     0.00  -0.03   0.08     0.00   0.01  -0.08    -0.00  -0.00   0.04
     3   6    -0.03   0.00  -0.07    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.01   0.08    -0.00  -0.01   0.09    -0.00  -0.00   0.03
     5   6     0.02   0.03   0.00     0.00   0.01  -0.10     0.00   0.01  -0.07
     6   6    -0.01   0.01  -0.07    -0.00  -0.00   0.00    -0.00  -0.01   0.08
     7   6    -0.09   0.04   0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     8   7     0.02  -0.05   0.07    -0.01   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.04  -0.09     0.01  -0.00  -0.01     0.00   0.00  -0.00
    10   1     0.18  -0.06   0.15     0.05  -0.01   0.03     0.02  -0.00   0.01
    11   1    -0.18   0.00   0.20    -0.01   0.01  -0.00    -0.01  -0.00   0.01
    12   1     0.17  -0.15  -0.35    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   1     0.04  -0.13  -0.02     0.01  -0.01  -0.02     0.00  -0.01  -0.01
    14   1    -0.05  -0.04   0.19     0.01  -0.00  -0.02    -0.01  -0.00   0.01
    15   1     0.03   0.08  -0.38     0.02   0.05  -0.49     0.01   0.03  -0.24
    16   1     0.05   0.02  -0.03    -0.02  -0.06   0.56    -0.02  -0.05   0.47
    17   1    -0.02  -0.04   0.45    -0.00   0.01  -0.03     0.02   0.06  -0.53
    18   1     0.06  -0.01  -0.01     0.02   0.05  -0.46    -0.02  -0.07   0.55
    19   1     0.02   0.03  -0.43    -0.02  -0.05   0.43     0.01   0.04  -0.33
    20   1     0.15  -0.05   0.08     0.03   0.01  -0.01     0.03  -0.00   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1010.5476              1023.9451              1041.0364
 Red. masses --      1.4134                 4.7221                 1.9037
 Frc consts  --      0.8504                 2.9170                 1.2156
 IR Inten    --      2.6104                 1.7153                30.6733
 RamAct Fr= 1--      4.1706                60.8916                 7.2494
  Dep-P Fr= 1--      0.5924                 0.0571                 0.1392
  Dep-U Fr= 1--      0.7440                 0.1080                 0.2444
 Alpha2 Fr= 1--      0.0122                 1.1826                 0.1152
 Beta2  Fr= 1--      0.5172                 1.0965                 0.2952
 AlphaG Fr= 1--     -0.0141                -0.0095                -0.0674
 Gamma2 Fr= 1--      1.4437                 0.8634                 0.9077
 Delta2 Fr= 1--     -0.0687                 0.1924                 1.1584
 Raman1 Fr= 1--      16.682                243.566                 28.998
 ROA1   Fr= 1--     136.403                 89.042                124.204
 CID1   Fr= 1--       8.176                  0.366                  4.283
 Raman2 Fr= 1--       6.206                 13.158                  3.543
 ROA2   Fr= 1--      35.199                 19.182                 12.517
 CID2   Fr= 1--       5.672                  1.458                  3.533
 Raman3 Fr= 1--      12.412                 26.315                  7.086
 ROA3   Fr= 1--     136.403                 89.042                124.204
 CID3   Fr= 1--      10.989                  3.384                 17.529
 RC180  Fr= 1--       0.488                 -0.784                 -0.511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00    -0.01   0.03   0.00    -0.04   0.07   0.01
     2   6     0.01   0.03  -0.01    -0.12  -0.29  -0.04    -0.02  -0.10  -0.01
     3   6     0.02  -0.01   0.03    -0.02  -0.03   0.02     0.07   0.05  -0.01
     4   6     0.01  -0.01  -0.01    -0.20   0.29   0.02    -0.00   0.02   0.01
     5   6    -0.00  -0.02  -0.00    -0.00  -0.01  -0.00    -0.04  -0.13  -0.02
     6   6    -0.03  -0.01   0.00     0.31   0.03   0.01     0.02   0.03   0.00
     7   6     0.06  -0.06  -0.09     0.01  -0.06   0.00     0.05   0.09  -0.05
     8   7     0.00  -0.02  -0.03     0.01   0.03  -0.03    -0.02  -0.06   0.05
     9   6    -0.05   0.10   0.05     0.05   0.03   0.02    -0.12  -0.01  -0.01
    10   1    -0.29   0.29  -0.21    -0.17   0.06  -0.12     0.19   0.01   0.13
    11   1     0.03  -0.14   0.24    -0.20  -0.07   0.17     0.33   0.10  -0.25
    12   1     0.10  -0.18  -0.25    -0.11  -0.07   0.04     0.24   0.08  -0.14
    13   1     0.01  -0.17   0.10     0.09  -0.11  -0.28    -0.18   0.15   0.56
    14   1    -0.17  -0.02   0.49    -0.17   0.01   0.15     0.26  -0.03  -0.09
    15   1     0.02  -0.01  -0.00    -0.15   0.34   0.03     0.10   0.10  -0.01
    16   1     0.01  -0.03   0.02     0.06  -0.02   0.01    -0.05  -0.13  -0.02
    17   1    -0.02  -0.04  -0.03     0.33  -0.02  -0.00     0.00   0.14   0.02
    18   1    -0.04   0.02  -0.01    -0.01   0.02   0.00     0.08   0.17   0.02
    19   1     0.03   0.02   0.08    -0.06  -0.33  -0.01     0.00  -0.11  -0.02
    20   1     0.28  -0.12   0.37    -0.05   0.00   0.04     0.21  -0.05   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1056.8309              1106.9925              1139.3551
 Red. masses --      1.9794                 1.5828                 2.4610
 Frc consts  --      1.3025                 1.1428                 1.8822
 IR Inten    --      0.3809                 8.7004                 7.4261
 RamAct Fr= 1--     14.5942                 1.4200                 5.6775
  Dep-P Fr= 1--      0.0496                 0.1101                 0.6959
  Dep-U Fr= 1--      0.0945                 0.1984                 0.8207
 Alpha2 Fr= 1--      0.2886                 0.0243                 0.0054
 Beta2  Fr= 1--      0.2298                 0.0470                 0.7766
 AlphaG Fr= 1--      0.0169                 0.0080                 0.0299
 Gamma2 Fr= 1--     -0.9505                 0.2506                -2.4620
 Delta2 Fr= 1--     -0.5115                 0.0957                -0.4995
 Raman1 Fr= 1--      58.377                  5.680                 22.710
 ROA1   Fr= 1--    -107.617                 27.121               -252.335
 CID1   Fr= 1--      -1.843                  4.775                -11.111
 Raman2 Fr= 1--       2.758                  0.564                  9.319
 ROA2   Fr= 1--     -18.720                  5.249                -55.092
 CID2   Fr= 1--      -6.788                  9.313                 -5.912
 Raman3 Fr= 1--       5.516                  1.127                 18.638
 ROA3   Fr= 1--    -107.617                 27.121               -252.335
 CID3   Fr= 1--     -19.511                 24.062                -13.539
 RC180  Fr= 1--      -0.811                 -0.603                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.16   0.02     0.08  -0.05  -0.00    -0.01   0.00   0.00
     2   6     0.07  -0.03   0.00    -0.10  -0.05  -0.01    -0.02  -0.00   0.01
     3   6    -0.01  -0.02  -0.00    -0.06   0.04   0.01     0.07   0.02  -0.05
     4   6     0.03   0.07   0.01     0.11  -0.02  -0.00     0.03  -0.01   0.01
     5   6     0.02  -0.14  -0.02    -0.03  -0.05  -0.01    -0.03  -0.02  -0.00
     6   6    -0.14  -0.03  -0.01    -0.03   0.08   0.01     0.01   0.01  -0.00
     7   6    -0.04  -0.03   0.04    -0.02  -0.01  -0.02     0.05  -0.10   0.26
     8   7     0.01   0.03  -0.01     0.02  -0.00  -0.01    -0.02   0.10  -0.10
     9   6     0.05  -0.00  -0.01     0.03   0.00   0.02    -0.05  -0.03  -0.12
    10   1    -0.05  -0.05  -0.03    -0.09   0.04  -0.07    -0.28   0.09  -0.22
    11   1    -0.19  -0.03   0.10    -0.01  -0.03   0.04     0.07  -0.16   0.51
    12   1    -0.08  -0.02   0.04    -0.09  -0.01   0.08     0.27  -0.01  -0.28
    13   1     0.06  -0.05  -0.20     0.05  -0.03  -0.16    -0.07   0.00   0.29
    14   1    -0.07   0.01  -0.02    -0.08   0.02   0.01     0.28  -0.07  -0.14
    15   1     0.27   0.26   0.04     0.45   0.24   0.05     0.03  -0.01  -0.04
    16   1     0.39  -0.30  -0.02    -0.19   0.01  -0.00    -0.14   0.02  -0.01
    17   1    -0.15  -0.08  -0.02    -0.10   0.53   0.06     0.00   0.09   0.02
    18   1     0.21   0.36   0.05     0.31   0.11   0.03    -0.04  -0.02  -0.01
    19   1     0.40  -0.15  -0.01    -0.41   0.06   0.01    -0.17   0.07  -0.06
    20   1    -0.15   0.04  -0.08     0.01  -0.03   0.08    -0.14   0.09  -0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.4601              1205.1907              1213.7678
 Red. masses --      1.1162                 1.1708                 2.1272
 Frc consts  --      0.9226                 1.0020                 1.8464
 IR Inten    --      0.1795                 0.0201                 3.6702
 RamAct Fr= 1--      4.5651                 8.2646                17.4863
  Dep-P Fr= 1--      0.7393                 0.1987                 0.1240
  Dep-U Fr= 1--      0.8501                 0.3315                 0.2206
 Alpha2 Fr= 1--      0.0008                 0.1126                 0.2886
 Beta2  Fr= 1--      0.6468                 0.4566                 0.6430
 AlphaG Fr= 1--      0.0008                 0.0598                 0.0417
 Gamma2 Fr= 1--     -0.2148                 0.0776                 0.4195
 Delta2 Fr= 1--      0.0277                -0.0225                 0.1449
 Raman1 Fr= 1--      18.261                 33.058                 69.945
 ROA1   Fr= 1--     -19.733                  6.735                 44.914
 CID1   Fr= 1--      -1.081                  0.204                  0.642
 Raman2 Fr= 1--       7.762                  5.479                  7.716
 ROA2   Fr= 1--      -5.376                  2.043                  8.909
 CID2   Fr= 1--      -0.693                  0.373                  1.155
 Raman3 Fr= 1--      15.524                 10.958                 15.432
 ROA3   Fr= 1--     -19.733                  6.735                 44.914
 CID3   Fr= 1--      -1.271                  0.615                  2.910
 RC180  Fr= 1--       0.700                 -0.337                 -0.559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.00    -0.02  -0.04  -0.01    -0.07   0.03   0.00
     2   6     0.01  -0.01  -0.00     0.05  -0.03  -0.00     0.03   0.02   0.00
     3   6     0.01   0.00   0.00    -0.06  -0.00  -0.00     0.24  -0.01   0.01
     4   6    -0.00  -0.01  -0.00     0.03   0.03   0.00     0.07   0.04   0.01
     5   6     0.04  -0.02  -0.00    -0.03   0.04   0.00    -0.09  -0.05  -0.01
     6   6    -0.01   0.07   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
     7   6    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.08  -0.08  -0.04
     8   7     0.00   0.00  -0.00     0.00  -0.00  -0.01    -0.01   0.01   0.03
     9   6     0.00   0.00  -0.00    -0.01  -0.01  -0.00     0.02   0.04   0.00
    10   1    -0.00  -0.00  -0.00    -0.05   0.04  -0.03     0.19  -0.18   0.15
    11   1    -0.01  -0.01   0.01     0.10   0.01   0.03    -0.45   0.00  -0.16
    12   1    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.07  -0.07  -0.03
    13   1     0.00  -0.00  -0.01    -0.01   0.02   0.01     0.04  -0.08  -0.05
    14   1    -0.01   0.00   0.00     0.04  -0.00  -0.04    -0.14   0.01   0.13
    15   1    -0.13  -0.10  -0.02     0.41   0.32   0.05     0.12   0.07   0.02
    16   1     0.43  -0.17  -0.01    -0.39   0.18   0.01    -0.45   0.08  -0.01
    17   1    -0.10   0.66   0.07    -0.01  -0.03  -0.00    -0.00   0.07   0.01
    18   1    -0.40  -0.31  -0.05    -0.31  -0.27  -0.04    -0.36  -0.18  -0.03
    19   1     0.16  -0.07  -0.00     0.54  -0.22  -0.01    -0.21   0.12   0.01
    20   1    -0.00   0.00   0.00     0.02  -0.02   0.04    -0.15   0.07  -0.19
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1267.1470              1309.0859              1354.1959
 Red. masses --      1.7513                 2.2104                 2.3234
 Frc consts  --      1.6568                 2.2319                 2.5104
 IR Inten    --     10.6710                 8.1742                 1.4248
 RamAct Fr= 1--     13.0353                 1.0877                 1.2101
  Dep-P Fr= 1--      0.1015                 0.6080                 0.5719
  Dep-U Fr= 1--      0.1843                 0.7562                 0.7276
 Alpha2 Fr= 1--      0.2274                 0.0028                 0.0041
 Beta2  Fr= 1--      0.4005                 0.1371                 0.1468
 AlphaG Fr= 1--     -0.1618                 0.0114                -0.0013
 Gamma2 Fr= 1--     -1.6449                 1.4111                 0.3755
 Delta2 Fr= 1--      0.2283                -0.3038                -0.5719
 Raman1 Fr= 1--      52.141                  4.351                  4.840
 ROA1   Fr= 1--    -150.603                125.744                 17.750
 CID1   Fr= 1--      -2.888                 28.901                  3.667
 Raman2 Fr= 1--       4.806                  1.645                  1.761
 ROA2   Fr= 1--     -41.304                 36.297                 13.588
 CID2   Fr= 1--      -8.594                 22.064                  7.716
 Raman3 Fr= 1--       9.612                  3.290                  3.522
 ROA3   Fr= 1--    -150.603                125.744                 17.750
 CID3   Fr= 1--     -15.668                 38.218                  5.040
 RC180  Fr= 1--      -0.631                  0.512                  0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.00    -0.08  -0.07  -0.01    -0.09  -0.06  -0.01
     2   6     0.04  -0.02  -0.00     0.06  -0.06  -0.00     0.17  -0.04  -0.00
     3   6     0.09   0.05   0.01     0.01   0.21   0.01    -0.03   0.04   0.01
     4   6    -0.00  -0.01   0.00    -0.03  -0.06  -0.01    -0.15  -0.09  -0.01
     5   6    -0.01  -0.03  -0.00     0.07  -0.06  -0.00     0.11  -0.03   0.00
     6   6     0.01   0.01   0.00    -0.00   0.07   0.01    -0.02   0.17   0.02
     7   6    -0.13   0.13  -0.02    -0.12  -0.08   0.03     0.06   0.00  -0.02
     8   7     0.04  -0.05  -0.03     0.02   0.04  -0.00    -0.00  -0.00   0.01
     9   6     0.05  -0.10   0.01     0.05   0.06  -0.00    -0.02  -0.01   0.01
    10   1    -0.24   0.22  -0.19    -0.00  -0.10   0.01     0.03  -0.01   0.02
    11   1    -0.09  -0.01   0.50     0.59  -0.12  -0.22    -0.35   0.03   0.10
    12   1    -0.09   0.10   0.24    -0.09  -0.13  -0.08     0.04   0.03   0.00
    13   1    -0.01   0.20  -0.13     0.08  -0.12  -0.12    -0.02  -0.02   0.01
    14   1    -0.00   0.01  -0.32    -0.15   0.03   0.14     0.09  -0.01  -0.03
    15   1    -0.14  -0.12  -0.03    -0.24  -0.22  -0.03     0.41   0.35   0.06
    16   1    -0.12   0.01  -0.01    -0.31   0.09  -0.00     0.13  -0.03   0.00
    17   1     0.01  -0.06  -0.01     0.01  -0.05  -0.01     0.05  -0.34  -0.04
    18   1    -0.05  -0.00  -0.00     0.20   0.14   0.02    -0.09  -0.06  -0.01
    19   1    -0.01   0.01   0.00     0.24  -0.14  -0.02    -0.49   0.22   0.02
    20   1     0.25  -0.16   0.39    -0.09   0.03  -0.03    -0.03   0.02  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1379.4214              1400.4956              1410.4182
 Red. masses --      1.4056                 1.2045                 1.2753
 Frc consts  --      1.5758                 1.3920                 1.4948
 IR Inten    --      3.0787                 3.2215                 7.9655
 RamAct Fr= 1--      4.6499                 2.7458                 2.5002
  Dep-P Fr= 1--      0.3850                 0.6640                 0.6561
  Dep-U Fr= 1--      0.5560                 0.7981                 0.7923
 Alpha2 Fr= 1--      0.0363                 0.0042                 0.0042
 Beta2  Fr= 1--      0.4309                 0.3652                 0.3302
 AlphaG Fr= 1--      0.0340                 0.0026                 0.0043
 Gamma2 Fr= 1--     -1.4434                 1.4388                 0.3621
 Delta2 Fr= 1--     -0.8632                 0.7009                 0.3696
 Raman1 Fr= 1--      18.599                 10.983                 10.001
 ROA1   Fr= 1--    -166.185                160.553                 46.592
 CID1   Fr= 1--      -8.935                 14.618                  4.659
 Raman2 Fr= 1--       5.171                  4.383                  3.962
 ROA2   Fr= 1--     -27.735                 28.924                  5.735
 CID2   Fr= 1--      -5.364                  6.599                  1.447
 Raman3 Fr= 1--      10.341                  8.766                  7.924
 ROA3   Fr= 1--    -166.185                160.553                 46.592
 CID3   Fr= 1--     -16.070                 18.316                  5.880
 RC180  Fr= 1--       0.112                  0.596                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.01     0.03   0.02   0.00    -0.01  -0.01  -0.00
     2   6    -0.02   0.01  -0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
     3   6    -0.03   0.07   0.02     0.00  -0.03   0.00    -0.01   0.01  -0.01
     4   6     0.01   0.01   0.00    -0.00  -0.01  -0.00    -0.01  -0.00   0.00
     5   6     0.05  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.00   0.00
     6   6     0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.00
     7   6     0.09  -0.02  -0.10    -0.04  -0.00  -0.07     0.01   0.01   0.07
     8   7    -0.02   0.02   0.03    -0.01   0.04   0.02     0.01  -0.03  -0.02
     9   6    -0.03  -0.03  -0.01     0.04  -0.01  -0.05     0.05  -0.01  -0.12
    10   1     0.16  -0.11   0.13     0.12  -0.17   0.11    -0.11   0.09  -0.09
    11   1    -0.44  -0.10   0.51     0.49  -0.22   0.45    -0.27   0.16  -0.32
    12   1    -0.02   0.09   0.09    -0.25   0.07   0.19    -0.33   0.20   0.31
    13   1    -0.05   0.05   0.15    -0.01   0.08   0.31    -0.00   0.09   0.47
    14   1     0.05  -0.04   0.02    -0.19  -0.05   0.19    -0.22  -0.12   0.41
    15   1    -0.20  -0.16  -0.01     0.13   0.09   0.01    -0.01  -0.00  -0.01
    16   1    -0.25   0.09   0.00     0.16  -0.06  -0.00    -0.05   0.03   0.00
    17   1    -0.03   0.19   0.02     0.02  -0.13  -0.01    -0.01   0.04   0.00
    18   1     0.23   0.16   0.03    -0.13  -0.10  -0.02     0.06   0.04   0.01
    19   1     0.27  -0.11   0.01    -0.13   0.04   0.01     0.05  -0.01  -0.01
    20   1    -0.09   0.08  -0.20    -0.11   0.08  -0.13     0.07  -0.07   0.13
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.8963              1491.9418              1496.3806
 Red. masses --      1.4810                 1.2224                 1.1326
 Frc consts  --      1.9395                 1.6031                 1.4942
 IR Inten    --      3.2431                12.5479                 1.7831
 RamAct Fr= 1--      2.1290                 3.3244                 4.9336
  Dep-P Fr= 1--      0.7480                 0.6959                 0.6952
  Dep-U Fr= 1--      0.8558                 0.8207                 0.8202
 Alpha2 Fr= 1--      0.0001                 0.0031                 0.0047
 Beta2  Fr= 1--      0.3037                 0.4547                 0.6744
 AlphaG Fr= 1--     -0.0019                 0.0057                -0.0417
 Gamma2 Fr= 1--      3.8871                -4.0457                -1.3900
 Delta2 Fr= 1--     -1.0574                 1.5440                -1.7644
 Raman1 Fr= 1--       8.516                 13.298                 19.735
 ROA1   Fr= 1--     339.327               -338.982               -189.899
 CID1   Fr= 1--      39.846                -25.492                 -9.623
 Raman2 Fr= 1--       3.644                  5.456                  8.093
 ROA2   Fr= 1--     101.750               -109.449                -19.245
 CID2   Fr= 1--      27.922                -20.059                 -2.378
 Raman3 Fr= 1--       7.288                 10.913                 16.186
 ROA3   Fr= 1--     339.327               -338.982               -189.899
 CID3   Fr= 1--      46.558                -31.063                -11.732
 RC180  Fr= 1--       0.712                  0.641                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01   0.00    -0.06  -0.00  -0.00     0.03  -0.00   0.00
     2   6    -0.04  -0.05  -0.01     0.04   0.02   0.00    -0.02  -0.01  -0.00
     3   6    -0.02   0.10   0.01     0.01  -0.06  -0.01    -0.01   0.04   0.00
     4   6     0.07  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.01  -0.00
     5   6    -0.08  -0.03  -0.01     0.05   0.01   0.00    -0.03  -0.01  -0.00
     6   6    -0.02   0.08   0.01     0.01  -0.05  -0.01    -0.01   0.04   0.00
     7   6    -0.00  -0.03  -0.01    -0.03  -0.00  -0.00     0.03  -0.03   0.01
     8   7     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6    -0.04  -0.01  -0.02    -0.02  -0.04  -0.01     0.03  -0.03   0.02
    10   1     0.01  -0.04   0.01     0.02  -0.05   0.02     0.01   0.02   0.00
    11   1    -0.15  -0.00  -0.02     0.20  -0.04  -0.02    -0.12   0.01  -0.05
    12   1     0.23   0.42   0.19     0.45   0.42   0.08     0.25  -0.15  -0.23
    13   1     0.00  -0.07  -0.28    -0.08   0.37  -0.33    -0.12   0.62   0.04
    14   1     0.31  -0.16   0.37    -0.05  -0.13   0.39    -0.60   0.08  -0.09
    15   1    -0.09  -0.15  -0.01     0.04   0.08   0.01    -0.01  -0.04  -0.01
    16   1     0.16  -0.13  -0.01    -0.14   0.09   0.01     0.08  -0.06  -0.00
    17   1     0.05  -0.39  -0.04    -0.04   0.24   0.03     0.02  -0.16  -0.02
    18   1    -0.19  -0.21  -0.03     0.09   0.12   0.02    -0.05  -0.08  -0.01
    19   1     0.06  -0.10  -0.01    -0.09   0.08   0.01     0.06  -0.05  -0.00
    20   1    -0.01  -0.01   0.03    -0.03   0.00   0.02    -0.01   0.02  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7138              1629.5175              1647.5853
 Red. masses --      2.1769                 5.3851                 5.4922
 Frc consts  --      3.0131                 8.4248                 8.7840
 IR Inten    --      8.1307                 0.6492                 3.9181
 RamAct Fr= 1--      0.1015                 7.9545                49.5041
  Dep-P Fr= 1--      0.6434                 0.6849                 0.5734
  Dep-U Fr= 1--      0.7830                 0.8130                 0.7289
 Alpha2 Fr= 1--      0.0002                 0.0091                 0.1646
 Beta2  Fr= 1--      0.0132                 1.0778                 6.0137
 AlphaG Fr= 1--     -0.0004                 0.0087                 0.1161
 Gamma2 Fr= 1--      0.2447                -0.6881                 1.7007
 Delta2 Fr= 1--     -0.1307                 0.1173                -0.0075
 Raman1 Fr= 1--       0.406                 31.818                198.016
 ROA1   Fr= 1--      19.311                -62.302                163.028
 CID1   Fr= 1--      47.561                 -1.958                  0.823
 Raman2 Fr= 1--       0.159                 12.934                 72.165
 ROA2   Fr= 1--       6.920                -17.453                 40.876
 CID2   Fr= 1--      43.532                 -1.349                  0.566
 Raman3 Fr= 1--       0.318                 25.868                144.329
 ROA3   Fr= 1--      19.311                -62.302                163.028
 CID3   Fr= 1--      60.743                 -2.408                  1.130
 RC180  Fr= 1--       0.566                  0.626                  0.458
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.12  -0.02    -0.03  -0.21  -0.02    -0.26  -0.12  -0.02
     2   6    -0.09   0.08   0.01    -0.14   0.17   0.02     0.29  -0.04   0.00
     3   6     0.13   0.03   0.01     0.06  -0.29  -0.03    -0.21  -0.04  -0.01
     4   6    -0.05  -0.11  -0.01     0.05   0.19   0.02     0.28   0.13   0.02
     5   6    -0.13   0.09   0.01     0.11  -0.19  -0.02    -0.28   0.02  -0.01
     6   6     0.10   0.02   0.01    -0.05   0.35   0.04     0.13   0.04   0.01
     7   6    -0.02  -0.01  -0.00    -0.02   0.04   0.01     0.02   0.01   0.00
     8   7    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01   0.01
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1     0.01  -0.02   0.01    -0.01   0.07  -0.01    -0.02   0.08  -0.01
    11   1    -0.06  -0.00   0.00     0.25  -0.01   0.01     0.03   0.00  -0.01
    12   1     0.04   0.05   0.02    -0.01  -0.00   0.01    -0.02  -0.00   0.00
    13   1    -0.00  -0.01  -0.06     0.00  -0.02  -0.00     0.00   0.01   0.03
    14   1     0.04  -0.02   0.04     0.02   0.00  -0.02    -0.02  -0.00   0.00
    15   1     0.40   0.22   0.04    -0.28  -0.06  -0.02    -0.29  -0.31  -0.04
    16   1     0.47  -0.14  -0.00    -0.24  -0.07  -0.01     0.27  -0.20  -0.01
    17   1     0.13  -0.00   0.00     0.07  -0.47  -0.05     0.16  -0.01   0.01
    18   1     0.39   0.24   0.04     0.24  -0.02   0.00     0.22   0.26   0.04
    19   1     0.43  -0.11  -0.00     0.32  -0.00   0.01    -0.31   0.21   0.02
    20   1    -0.01  -0.00   0.02     0.03   0.01  -0.05     0.02   0.02  -0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1659.7761              3023.8511              3033.0129
 Red. masses --      1.0940                 1.0776                 1.0434
 Frc consts  --      1.7757                 5.8056                 5.6555
 IR Inten    --     26.8895                12.2365                26.0649
 RamAct Fr= 1--      3.8931               146.3249                94.2046
  Dep-P Fr= 1--      0.7463                 0.0959                 0.0678
  Dep-U Fr= 1--      0.8547                 0.1750                 0.1270
 Alpha2 Fr= 1--      0.0002                 2.5879                 1.7832
 Beta2  Fr= 1--      0.5546                 4.2672                 1.9942
 AlphaG Fr= 1--      0.0058                 0.7199                -0.2836
 Gamma2 Fr= 1--      0.7439                 0.9835                 0.7936
 Delta2 Fr= 1--      0.9707                -0.3783                -0.4878
 Raman1 Fr= 1--      15.572                585.300                376.818
 ROA1   Fr= 1--     102.473                 82.306                 60.574
 CID1   Fr= 1--       6.580                  0.141                  0.161
 Raman2 Fr= 1--       6.655                 51.207                 23.931
 ROA2   Fr= 1--      10.087                 26.630                 22.948
 CID2   Fr= 1--       1.516                  0.520                  0.959
 Raman3 Fr= 1--      13.310                102.414                 47.862
 ROA3   Fr= 1--     102.473                 82.306                 60.574
 CID3   Fr= 1--       7.699                  0.804                  1.266
 RC180  Fr= 1--       0.709                 -0.650                 -0.746
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.03  -0.01   0.00    -0.01  -0.07  -0.02    -0.01  -0.03  -0.01
     8   7     0.01  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.01    -0.00   0.02   0.01     0.02  -0.02  -0.04
    10   1    -0.08   0.69  -0.09     0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.05  -0.03   0.03     0.13   0.86   0.22     0.06   0.38   0.10
    12   1    -0.00   0.04   0.03    -0.05   0.07  -0.08     0.19  -0.27   0.31
    13   1     0.01  -0.01  -0.02     0.12   0.03   0.01    -0.47  -0.10  -0.03
    14   1     0.01  -0.02   0.04    -0.05  -0.39  -0.11     0.08   0.61   0.17
    15   1     0.02   0.01  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    16   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.01  -0.02  -0.00    -0.01  -0.01  -0.00
    20   1     0.14   0.16  -0.67    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.8401              3115.2295              3156.3850
 Red. masses --      1.0978                 1.1031                 1.0863
 Frc consts  --      6.1952                 6.3076                 6.3766
 IR Inten    --     30.6352                23.2187                 9.1774
 RamAct Fr= 1--     82.4261               106.4272                30.4780
  Dep-P Fr= 1--      0.3181                 0.6661                 0.2276
  Dep-U Fr= 1--      0.4826                 0.7996                 0.3708
 Alpha2 Fr= 1--      0.8003                 0.1587                 0.3843
 Beta2  Fr= 1--      6.6305                14.1835                 1.8837
 AlphaG Fr= 1--     -0.0707                 0.0488                -0.0136
 Gamma2 Fr= 1--     -1.8921                 2.3833                -0.3638
 Delta2 Fr= 1--     -7.3726                 7.7388                -0.1454
 Raman1 Fr= 1--     329.704                425.709                121.912
 ROA1   Fr= 1--    -417.569                476.439                -39.576
 CID1   Fr= 1--      -1.266                  1.119                 -0.325
 Raman2 Fr= 1--      79.566                170.202                 22.604
 ROA2   Fr= 1--      13.570                 -4.712                 -7.568
 CID2   Fr= 1--       0.171                 -0.028                 -0.335
 Raman3 Fr= 1--     159.131                340.404                 45.208
 ROA3   Fr= 1--    -417.569                476.439                -39.576
 CID3   Fr= 1--      -2.624                  1.400                 -0.875
 RC180  Fr= 1--      -0.035                  0.599                 -0.258
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.02   0.03   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.06  -0.01
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00   0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.03  -0.08   0.01    -0.08   0.02  -0.04    -0.00   0.00  -0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.02   0.15   0.04     0.00   0.00   0.00     0.01   0.02   0.01
    12   1    -0.23   0.29  -0.37     0.30  -0.42   0.50     0.00  -0.00   0.00
    13   1     0.52   0.09   0.03     0.67   0.15   0.03     0.00   0.00  -0.00
    14   1     0.07   0.61   0.18    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
    15   1     0.02  -0.02  -0.00    -0.01   0.01   0.00     0.22  -0.28  -0.02
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.09   0.24   0.03
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.20  -0.03  -0.01
    18   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.24  -0.31  -0.03
    19   1    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.28   0.72   0.09
    20   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3158.9430              3172.4675              3180.9528
 Red. masses --      1.0866                 1.0889                 1.0931
 Frc consts  --      6.3883                 6.4568                 6.5166
 IR Inten    --      5.8521                 3.1966                31.6049
 RamAct Fr= 1--     79.5470               136.4093                49.8291
  Dep-P Fr= 1--      0.7474                 0.4521                 0.7500
  Dep-U Fr= 1--      0.8554                 0.6227                 0.8571
 Alpha2 Fr= 1--      0.0036                 0.8292                 0.0000
 Beta2  Fr= 1--     11.3410                14.1562                 7.1184
 AlphaG Fr= 1--     -0.0042                -0.0142                -0.0000
 Gamma2 Fr= 1--     -0.3590                -0.7107                 0.1026
 Delta2 Fr= 1--     -1.2811                -1.0576                 0.6638
 Raman1 Fr= 1--     318.188                545.637                199.316
 ROA1   Fr= 1--     -75.455               -102.070                 31.091
 CID1   Fr= 1--      -0.237                 -0.187                  0.156
 Raman2 Fr= 1--     136.092                169.875                 85.421
 ROA2   Fr= 1--       1.634                 -8.596                 -2.848
 CID2   Fr= 1--       0.012                 -0.051                 -0.033
 Raman3 Fr= 1--     272.185                339.749                170.842
 ROA3   Fr= 1--     -75.455               -102.070                 31.091
 CID3   Fr= 1--      -0.277                 -0.300                  0.182
 RC180  Fr= 1--       0.711                  0.245                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.02  -0.03  -0.00     0.04  -0.04  -0.00
     2   6    -0.01  -0.04  -0.00    -0.01  -0.03  -0.00    -0.01  -0.02  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.04  -0.05  -0.00    -0.02   0.03   0.00     0.02  -0.02  -0.00
     5   6     0.01   0.03   0.00     0.01   0.03   0.00    -0.02  -0.05  -0.01
     6   6    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1     0.00   0.01   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    15   1    -0.48   0.62   0.05     0.23  -0.30  -0.03    -0.18   0.23   0.02
    16   1    -0.14  -0.36  -0.05    -0.14  -0.35  -0.05     0.24   0.60   0.08
    17   1     0.09   0.01   0.00     0.64   0.09   0.03     0.02  -0.00   0.00
    18   1     0.08  -0.10  -0.01    -0.26   0.33   0.03    -0.40   0.51   0.05
    19   1     0.16   0.41   0.05     0.12   0.30   0.04     0.09   0.22   0.03
    20   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3193.8316              3478.1368              3555.2504
 Red. masses --      1.0973                 1.0485                 1.0929
 Frc consts  --      6.5947                 7.4732                 8.1390
 IR Inten    --     16.1824                 1.4087                 0.5000
 RamAct Fr= 1--    325.7612               100.7059                41.5014
  Dep-P Fr= 1--      0.1006                 0.0612                 0.7018
  Dep-U Fr= 1--      0.1828                 0.1153                 0.8248
 Alpha2 Fr= 1--      5.6954                 1.9368                 0.0348
 Beta2  Fr= 1--      9.9243                 1.9356                 5.7050
 AlphaG Fr= 1--     -0.1005                -0.2234                -0.1205
 Gamma2 Fr= 1--     -0.4483                -0.6350                 0.1150
 Delta2 Fr= 1--     -0.2126                -2.1094                 1.7100
 Raman1 Fr= 1--    1303.045                402.824                166.006
 ROA1   Fr= 1--     -49.839               -128.461                 65.762
 CID1   Fr= 1--      -0.038                 -0.319                  0.396
 Raman2 Fr= 1--     119.092                 23.227                 68.460
 ROA2   Fr= 1--      -9.057                  1.635                -10.919
 CID2   Fr= 1--      -0.076                  0.070                 -0.159
 Raman3 Fr= 1--     238.184                 46.454                136.920
 ROA3   Fr= 1--     -49.839               -128.461                 65.762
 CID3   Fr= 1--      -0.209                 -2.765                  0.480
 RC180  Fr= 1--      -0.634                 -0.769                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.06  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00    -0.02  -0.04   0.03     0.02  -0.05  -0.06
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.29  -0.08  -0.60    -0.34   0.05   0.65
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00   0.01   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.09   0.11   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.16   0.42   0.05    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.72   0.10   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.29  -0.38  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    19   1    -0.05  -0.12  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.03   0.70   0.20     0.00   0.65   0.16

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   525.114091659.442701822.33125
           X            0.99994  -0.00194  -0.01109
           Y            0.00196   1.00000   0.00193
           Z            0.01108  -0.00195   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16494     0.05219     0.04753
 Rotational constants (GHZ):           3.43686     1.08756     0.99035
 Zero-point vibrational energy     455728.5 (Joules/Mol)
                                  108.92173 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.61   184.43   305.35   358.58   381.45
          (Kelvin)            453.92   486.16   594.08   703.24   792.86
                              860.89   918.86  1024.72  1099.29  1120.51
                             1226.37  1254.38  1318.68  1334.28  1377.80
                             1401.13  1453.95  1473.23  1497.82  1520.54
                             1592.72  1639.28  1704.17  1734.00  1746.34
                             1823.14  1883.48  1948.39  1984.68  2015.00
                             2029.28  2145.07  2146.57  2152.96  2205.23
                             2344.51  2370.51  2388.05  4350.65  4363.83
                             4452.78  4482.12  4541.33  4545.01  4564.47
                             4576.68  4595.21  5004.26  5115.21
 
 Zero-point correction=                           0.173578 (Hartree/Particle)
 Thermal correction to Energy=                    0.182170
 Thermal correction to Enthalpy=                  0.183114
 Thermal correction to Gibbs Free Energy=         0.139606
 Sum of electronic and zero-point Energies=           -366.227424
 Sum of electronic and thermal Energies=              -366.218832
 Sum of electronic and thermal Enthalpies=            -366.217887
 Sum of electronic and thermal Free Energies=         -366.261396
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.313             33.057             91.571
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.853
 Vibrational            112.536             27.096             22.430
 Vibration     1          0.593              1.985              6.211
 Vibration     2          0.611              1.925              2.973
 Vibration     3          0.643              1.822              2.024
 Vibration     4          0.662              1.764              1.736
 Vibration     5          0.671              1.737              1.628
 Vibration     6          0.703              1.644              1.333
 Vibration     7          0.718              1.600              1.222
 Vibration     8          0.777              1.442              0.916
 Vibration     9          0.845              1.275              0.687
 Vibration    10          0.906              1.137              0.542
 Vibration    11          0.956              1.035              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.610700D-64        -64.214172       -147.858596
 Total V=0       0.422685D+16         15.626017         35.980233
 Vib (Bot)       0.258493D-77        -77.587551       -178.651939
 Vib (Bot)    1  0.836664D+01          0.922551          2.124253
 Vib (Bot)    2  0.159113D+01          0.201706          0.464446
 Vib (Bot)    3  0.935028D+00         -0.029175         -0.067179
 Vib (Bot)    4  0.783396D+00         -0.106018         -0.244116
 Vib (Bot)    5  0.730761D+00         -0.136225         -0.313669
 Vib (Bot)    6  0.597432D+00         -0.223712         -0.515115
 Vib (Bot)    7  0.550255D+00         -0.259436         -0.597374
 Vib (Bot)    8  0.427545D+00         -0.369019         -0.849697
 Vib (Bot)    9  0.339588D+00         -0.469048         -1.080023
 Vib (Bot)   10  0.284486D+00         -0.545938         -1.257070
 Vib (Bot)   11  0.249975D+00         -0.602103         -1.386393
 Vib (V=0)       0.178911D+03          2.252638          5.186890
 Vib (V=0)    1  0.888157D+01          0.948490          2.183978
 Vib (V=0)    2  0.216784D+01          0.336028          0.773733
 Vib (V=0)    3  0.156032D+01          0.193213          0.444891
 Vib (V=0)    4  0.142936D+01          0.155142          0.357227
 Vib (V=0)    5  0.138544D+01          0.141589          0.326021
 Vib (V=0)    6  0.127905D+01          0.106889          0.246121
 Vib (V=0)    7  0.124349D+01          0.094643          0.217924
 Vib (V=0)    8  0.115787D+01          0.063660          0.146583
 Vib (V=0)    9  0.110442D+01          0.043133          0.099318
 Vib (V=0)   10  0.107527D+01          0.031516          0.072569
 Vib (V=0)   11  0.105901D+01          0.024898          0.057331
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.451094D+06          5.654267         13.019431
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       333333333                                               111 1111 1111 11111111111                                    
     5  4       111111000                                               666 5444 4433 32221110000999988 77 7  65 5 4  4 33 222  1    
     5  7       987551932                                               643 3999 1075 06108305421752175 76 1  39 5 8  1 31 641  2   2
     5  8       412965534                                               080 3621 0094 97454977141487722 94 2  98 1 9  3 85 592  8   5
 
     X  X       XXXXXXXXX                                               XXX XXXX XXXX XXX XXXXXXXXXXXXX XX X   X X X  X XX XXX  X   X
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002670    0.000007893    0.000001968
      2        6          -0.000004194   -0.000000349    0.000000855
      3        6          -0.000008447    0.000002333   -0.000002740
      4        6           0.000006527    0.000002939    0.000001733
      5        6          -0.000005445   -0.000001554    0.000000674
      6        6          -0.000003923   -0.000007472   -0.000002398
      7        6           0.000031443   -0.000013167    0.000026803
      8        7          -0.000017494    0.000008271   -0.000012223
      9        6           0.000002935   -0.000011877   -0.000012023
     10        1           0.000003000   -0.000000962   -0.000002368
     11        1          -0.000003885    0.000000095   -0.000008171
     12        1          -0.000003120    0.000002496    0.000000140
     13        1           0.000002069    0.000005182    0.000002873
     14        1          -0.000003742    0.000004462    0.000000181
     15        1           0.000000237   -0.000002108   -0.000000437
     16        1          -0.000000115   -0.000002175    0.000000825
     17        1          -0.000001199    0.000000798    0.000001933
     18        1          -0.000001813    0.000000163   -0.000000529
     19        1           0.000001794    0.000001782   -0.000000338
     20        1           0.000002700    0.000003251    0.000003243
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000031443 RMS     0.000007393
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136282D+03 -0.363881D+00  0.880842D+00
      2  -0.363881D+00  0.107457D+03  0.259166D+01
      3   0.880842D+00  0.259166D+01  0.764606D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.231108D+00  0.280631D+01  0.187175D+01
      2   0.224540D+00  0.834491D+01 -0.201224D+02
      3  -0.590146D+01 -0.359134D+02 -0.864847D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.709356D+02  0.654273D+00  0.163875D+01
      2  -0.117798D+02  0.312110D+00 -0.608123D+01
      3  -0.591558D+02 -0.966383D+00  0.444249D+01
      4   0.258198D+01  0.746734D+02  0.190486D+02
      5   0.136280D+02  0.192865D+02 -0.491697D+02
      6   0.830732D+01  0.770228D+01 -0.364844D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.353817D+01 -0.711689D+00 -0.370514D+00 -0.563243D+01 -0.131183D+01
      2  -0.711689D+00  0.295086D+01  0.279453D+00 -0.131183D+01 -0.411553D+00
      3  -0.370514D+00  0.279453D+00  0.126110D+01 -0.544658D+00  0.518827D+00
                 6             7             8             9            10 
      1  -0.544658D+00 -0.157047D+01 -0.406002D+00  0.280462D+01  0.726883D+01
      2   0.518827D+00 -0.406002D+00  0.992295D+00 -0.340525D+01  0.249939D+01
      3  -0.158061D+01  0.280462D+01 -0.340525D+01 -0.877124D+00  0.903446D+00
                11            12            13            14            15 
      1   0.249939D+01  0.903446D+00 -0.817238D+01 -0.828855D-01 -0.190875D+00
      2  -0.228792D+01  0.194739D-01 -0.828855D-01 -0.116138D+01  0.684406D+00
      3   0.194739D-01 -0.613347D+00 -0.190875D+00  0.684406D+00 -0.218360D+01
                16            17            18            19            20 
      1  -0.865710D+00  0.686395D+00 -0.138597D+01 -0.207488D+02 -0.117641D+01
      2   0.686395D+00  0.763840D+00 -0.410695D+01 -0.117641D+01 -0.205028D+01
      3  -0.138597D+01 -0.410695D+01 -0.144255D+01 -0.674180D+00  0.117579D+00
                21            22            23            24            25 
      1  -0.674180D+00 -0.205127D+01  0.173005D+01  0.942898D+00 -0.440974D+00
      2   0.117579D+00  0.173005D+01 -0.712280D+00 -0.116609D+00  0.576264D+00
      3  -0.249317D+01  0.942898D+00 -0.116609D+00  0.243255D+00 -0.431770D+01
                26            27            28            29            30 
      1   0.576264D+00 -0.431770D+01  0.505439D+01 -0.677723D+00  0.681298D+00
      2  -0.365128D+00 -0.373833D+00 -0.677723D+00 -0.328891D+01 -0.369830D+00
      3  -0.373833D+00  0.984814D-01  0.681298D+00 -0.369830D+00 -0.110482D+01
                31            32            33            34            35 
      1   0.908155D+01 -0.814997D-01  0.474345D+00  0.145168D+01  0.574833D-01
      2  -0.814997D-01  0.762088D+00 -0.519774D+00  0.574833D-01 -0.852508D+00
      3   0.474345D+00 -0.519774D+00  0.178732D+01 -0.173762D+01  0.325484D+01
                36            37            38            39            40 
      1  -0.173762D+01 -0.597391D+01 -0.691972D+00 -0.695409D+00  0.608473D+01
      2   0.325484D+01 -0.691972D+00  0.180218D+01  0.981562D-02 -0.213965D+00
      3   0.713657D+00 -0.695409D+00  0.981562D-02  0.616811D+00  0.492180D-01
                41            42            43            44            45 
      1  -0.213965D+00  0.492180D-01  0.275807D+00 -0.373614D+00  0.196624D+01
      2   0.788315D+00 -0.683321D+00 -0.373614D+00 -0.732821D+00  0.401509D+01
      3  -0.683321D+00  0.184868D+01  0.196624D+01  0.401509D+01  0.133414D+01
                46            47            48            49            50 
      1   0.697113D+01  0.213632D+00  0.206560D+00  0.546694D-02 -0.334126D+00
      2   0.213632D+00  0.314999D+01  0.809699D-01 -0.334126D+00 -0.702252D-01
      3   0.206560D+00  0.809699D-01  0.240462D+01 -0.953866D+00 -0.765296D-01
                51            52            53            54            55 
      1  -0.953866D+00 -0.794209D-01 -0.682754D+00  0.567734D+01  0.484073D+01
      2  -0.765296D-01 -0.682754D+00 -0.286567D-01  0.646313D+00 -0.896693D-01
      3   0.236177D+00  0.567734D+01  0.646313D+00  0.565162D+00 -0.967612D+00
                56            57            58            59            60 
      1  -0.896693D-01 -0.967612D+00 -0.429688D+01  0.120389D+01 -0.136782D+01
      2  -0.200383D+00 -0.852294D+00  0.120389D+01  0.671844D+01  0.219034D+01
      3  -0.852294D+00  0.341568D+01 -0.136782D+01  0.219034D+01 -0.116964D+01
                61            62            63            64            65 
      1  -0.896507D-01 -0.103212D+01  0.648671D+01 -0.290909D+01  0.926098D+00
      2  -0.103212D+01  0.143373D+01 -0.180986D+00  0.926098D+00  0.139835D+00
      3   0.648671D+01 -0.180986D+00 -0.195692D+01 -0.695626D+00  0.961210D+00
                66            67            68            69            70 
      1  -0.695626D+00  0.372981D+01 -0.963486D+00  0.574864D+00 -0.259494D+01
      2   0.961210D+00 -0.963486D+00 -0.505958D+01 -0.117412D+01  0.670403D+00
      3  -0.475644D+01  0.574864D+00 -0.117412D+01  0.264574D+00 -0.500346D+01
                71            72            73            74            75 
      1   0.670403D+00 -0.500346D+01  0.896879D+01  0.213659D+01 -0.821226D+00
      2  -0.461163D+00  0.884381D-01  0.213659D+01 -0.962922D+00  0.769770D+00
      3   0.884381D-01  0.304958D+01 -0.821226D+00  0.769770D+00 -0.371646D+01
                76            77            78            79            80 
      1   0.347953D+01 -0.675108D+00  0.588116D+00  0.425340D+01  0.921720D+00
      2  -0.675108D+00 -0.373237D+01 -0.343494D+01  0.921720D+00 -0.273773D+01
      3   0.588116D+00 -0.343494D+01  0.209949D+01 -0.485141D+01  0.130175D+01
                81            82            83            84            85 
      1  -0.485141D+01  0.956934D-01 -0.121717D+00 -0.723099D+00 -0.781760D+00
      2   0.130175D+01 -0.121717D+00  0.281190D+00 -0.257240D+00 -0.711452D-01
      3   0.702299D+00 -0.723099D+00 -0.257240D+00  0.312187D+01  0.608934D-01
                86            87            88            89            90 
      1  -0.711452D-01  0.608934D-01 -0.165828D+01  0.104455D+00  0.846178D+00
      2   0.139831D+00 -0.916283D+00  0.104455D+00 -0.108371D+01  0.630160D+00
      3  -0.916283D+00 -0.461206D+00  0.846178D+00  0.630160D+00 -0.849269D+01
                91            92            93            94            95 
      1  -0.126233D+00 -0.129779D+01 -0.243108D+00 -0.224472D+01 -0.167663D+01
      2  -0.129779D+01 -0.104604D+01 -0.181250D+00 -0.167663D+01 -0.736091D+01
      3  -0.243108D+00 -0.181250D+00 -0.712730D+00 -0.150825D+00 -0.128506D+01
                96            97            98            99           100 
      1  -0.150825D+00 -0.108230D+00 -0.143248D+00 -0.101331D+01  0.162116D+00
      2  -0.128506D+01 -0.143248D+00 -0.142507D+01 -0.118576D+01 -0.822429D+00
      3  -0.158184D+01 -0.101331D+01 -0.118576D+01 -0.876600D+00  0.872540D+00
               101           102           103           104           105 
      1  -0.822429D+00  0.872540D+00 -0.124752D+01  0.205396D+00 -0.992023D-01
      2   0.866787D+00 -0.830255D+00  0.205396D+00 -0.194725D+01  0.231728D+01
      3  -0.830255D+00  0.236474D+01 -0.992023D-01  0.231728D+01 -0.296783D+01
               106           107           108           109           110 
      1   0.543230D+00 -0.286371D+00  0.510182D+00 -0.139736D+02 -0.167022D+01
      2  -0.286371D+00  0.193414D+01 -0.218382D+01 -0.167022D+01 -0.115296D+01
      3   0.510182D+00 -0.218382D+01  0.525001D+01  0.225519D+01  0.224359D+00
               111           112           113           114           115 
      1   0.225519D+01 -0.244144D+01 -0.157067D+01  0.485148D+00 -0.594020D+00
      2   0.224359D+00 -0.157067D+01 -0.433492D+00  0.576871D+00 -0.573934D-01
      3  -0.163759D+01  0.485148D+00  0.576871D+00 -0.654647D+00 -0.645272D+00
               116           117           118           119           120 
      1  -0.573934D-01 -0.645272D+00 -0.386724D+00  0.628394D+00  0.184714D+00
      2   0.972351D-01 -0.324371D+00  0.628394D+00  0.216389D+00 -0.151107D-01
      3  -0.324371D+00  0.693711D-01  0.184714D+00 -0.151107D-01  0.752258D+00
               121           122           123           124           125 
      1   0.183312D+01 -0.570922D+00 -0.831637D+00  0.163172D+00 -0.259719D+00
      2  -0.570922D+00  0.541464D+01  0.220764D+01 -0.259719D+00  0.153556D+01
      3  -0.831637D+00  0.220764D+01  0.244552D+01  0.107908D+00  0.113829D+01
               126           127           128           129           130 
      1   0.107908D+00 -0.367427D+01  0.225680D+01  0.834703D-01  0.280396D+01
      2   0.113829D+01  0.225680D+01 -0.253585D+01 -0.182291D+00 -0.293224D+01
      3   0.169209D+01  0.834703D-01 -0.182291D+00 -0.385207D+00 -0.225103D+00
               131           132           133           134           135 
      1  -0.293224D+01 -0.225103D+00  0.213795D+00 -0.347248D+00  0.109209D+00
      2   0.594472D+01  0.459275D+00 -0.347248D+00  0.535258D+00  0.802918D-01
      3   0.459275D+00  0.738135D+00  0.109209D+00  0.802918D-01  0.106866D+00
               136           137           138           139           140 
      1   0.227401D+01  0.270492D+01  0.341740D+00  0.245170D+01  0.404052D+01
      2   0.270492D+01  0.289187D+01  0.363315D+00  0.404052D+01  0.993154D+01
      3   0.341740D+00  0.363315D+00  0.350653D+00  0.516853D+00  0.113202D+01
               141           142           143           144           145 
      1   0.516853D+00  0.598175D+00  0.512824D+00  0.182858D+00  0.134712D+02
      2   0.113202D+01  0.512824D+00  0.120334D+01  0.283509D+00  0.147760D+01
      3   0.100166D+01  0.182858D+00  0.283509D+00  0.171057D+00  0.509570D+00
               146           147           148           149           150 
      1   0.147760D+01  0.509570D+00  0.143299D+01  0.180546D+01  0.230652D+00
      2   0.945660D+00  0.463827D-01  0.180546D+01  0.545766D+00  0.897234D-01
      3   0.463827D-01  0.908969D+00  0.230652D+00  0.897234D-01  0.139048D+00
               151           152           153           154           155 
      1   0.502346D+00  0.227684D+00  0.532956D-01  0.530706D+01 -0.410274D+01
      2   0.227684D+00  0.495375D-01  0.368016D-01 -0.410274D+01  0.367373D+01
      3   0.532956D-01  0.368016D-01  0.527012D-01 -0.325423D+00  0.253521D+00
               156           157           158           159           160 
      1  -0.325423D+00 -0.405623D+01  0.471298D+01  0.433866D+00 -0.358153D+00
      2   0.253521D+00  0.471298D+01 -0.685264D+01 -0.594068D+00  0.453300D+00
      3   0.570002D+00  0.433866D+00 -0.594068D+00 -0.799896D+00  0.210151D+00
               161           162           163           164           165 
      1   0.453300D+00  0.210151D+00 -0.151752D+01 -0.173315D+01 -0.237182D+00
      2  -0.753383D+00 -0.143517D+00 -0.173315D+01 -0.231073D+01 -0.302193D+00
      3  -0.143517D+00 -0.747989D-01 -0.237182D+00 -0.302193D+00 -0.213943D+00
               166           167           168           169           170 
      1  -0.175784D+01 -0.190033D+01 -0.305806D+00  0.105511D+00 -0.358115D+00
      2  -0.190033D+01 -0.912617D+01 -0.101978D+01 -0.358115D+00 -0.115106D+01
      3  -0.305806D+00 -0.101978D+01 -0.956658D+00  0.157836D+00 -0.272935D+00
               171           172           173           174           175 
      1   0.157836D+00 -0.156566D+01  0.252091D+00 -0.285152D+00  0.177962D+01
      2  -0.272935D+00  0.252091D+00 -0.108250D+01 -0.135388D+00 -0.131346D+01
      3  -0.129955D+00 -0.285152D+00 -0.135388D+00 -0.132998D+00  0.312940D+00
               176           177           178           179           180 
      1  -0.131346D+01  0.312940D+00  0.252722D+00 -0.263947D+00 -0.157776D+00
      2   0.662252D+01 -0.355901D+00 -0.263947D+00  0.104629D+01  0.701940D+00
      3  -0.355901D+00  0.155207D+01 -0.157776D+00  0.701940D+00  0.452246D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.154614D+01 -0.380287D+00  0.174316D+01 -0.165265D+01 -0.492711D+00
      2   0.267454D+00  0.896830D+00  0.262217D+01 -0.242820D+00  0.194306D+01
      3   0.794151D+01 -0.978818D+01 -0.136409D+00  0.996864D+01  0.183230D+01
                 6             7             8             9            10 
      1  -0.156065D+01  0.672581D+01  0.401952D+01  0.567024D+00  0.156438D+01
      2  -0.450594D+01 -0.324808D+01 -0.107284D+02 -0.205821D+01  0.282557D+00
      3  -0.358460D+00  0.982427D+00 -0.153700D+01  0.565942D+01 -0.108327D+02
                11            12            13            14            15 
      1   0.613502D+00 -0.115585D+01  0.393316D+00  0.404246D+00 -0.231436D+01
      2   0.888186D+00 -0.955946D+00  0.262333D+01 -0.307143D+00 -0.964543D+00
      3  -0.441400D+01 -0.171821D+01  0.348253D+01  0.658678D+01 -0.283948D+00
                16            17            18            19            20 
      1  -0.527125D+01  0.729143D+00 -0.412336D+00 -0.203508D+01 -0.224470D+00
      2  -0.125512D+02 -0.229886D+01 -0.118532D+01 -0.308000D+01 -0.208369D-01
      3  -0.163349D+00 -0.671768D+00  0.621061D+01  0.704589D+01  0.777943D+01
                21            22            23            24            25 
      1  -0.368014D-01 -0.149592D+01 -0.196920D+01  0.504343D+00 -0.110354D+01
      2  -0.185782D+01 -0.138333D+01  0.802060D+00 -0.114031D+01 -0.187099D+02
      3   0.107797D+01  0.223245D+02  0.130680D+01  0.671004D+00 -0.117611D+01
                26            27            28            29            30 
      1   0.102752D+02  0.163888D+01  0.475876D+00 -0.389164D+00  0.207345D+01
      2   0.252370D+00 -0.268607D+01  0.190328D+00  0.212094D+00 -0.105816D+01
      3   0.109247D+00  0.857718D+00 -0.360306D+01  0.824739D+00  0.193422D+00
                31            32            33            34            35 
      1   0.846446D+00  0.174105D+00 -0.135071D+01  0.764558D+01  0.341990D+01
      2   0.163948D+01  0.210216D+00  0.127409D+01 -0.128174D+02  0.848860D+00
      3  -0.432046D+01 -0.730434D+01 -0.740160D+00 -0.150105D+01  0.608466D+00
                36            37            38            39            40 
      1   0.439021D+00 -0.670068D+00  0.957247D+00 -0.190980D+01  0.652643D+00
      2   0.583490D+00  0.313849D+00  0.107317D+01  0.852456D+00  0.443903D+00
      3  -0.678983D+01  0.648379D+01 -0.151577D+02 -0.135572D+01  0.410714D+01
                41            42            43            44            45 
      1  -0.175006D-01 -0.255289D+01 -0.577673D+01  0.577775D+00 -0.729675D+00
      2  -0.152353D+01  0.409842D+01 -0.797025D+01  0.954843D+01  0.235176D+01
      3   0.292665D+00  0.118484D+01  0.133552D+01  0.186303D+01 -0.465197D+01
                46            47            48            49            50 
      1   0.759803D+00 -0.361359D+00 -0.543199D+00  0.331330D+00 -0.100970D+01
      2  -0.338082D+00 -0.769350D-01  0.603030D+01 -0.301232D+01 -0.283142D+00
      3  -0.485171D+01 -0.599244D+01 -0.102775D+00  0.114495D+02 -0.387312D+01
                51            52            53            54            55 
      1   0.144137D+01 -0.198250D+01  0.117717D+02  0.161927D+01 -0.444812D+00
      2   0.102898D+01  0.825970D+01  0.272959D+01  0.120709D+01  0.657398D+01
      3  -0.284060D+00  0.104662D+01  0.122471D+00 -0.198038D+01 -0.567222D+01
                56            57            58            59            60 
      1  -0.361539D+00  0.120444D+00  0.167334D+01  0.173776D+01 -0.267303D+01
      2   0.140231D+01 -0.340077D+01 -0.328505D+00 -0.566840D+01  0.243773D+01
      3   0.473183D+00 -0.115739D+01  0.122539D+02  0.145548D+02  0.694946D+01
                61            62            63            64            65 
      1   0.214832D+01  0.244401D+01 -0.120016D+01  0.337796D+00  0.310931D+01
      2  -0.172801D+02  0.329027D+00  0.337650D+01 -0.299967D+01 -0.209693D+01
      3  -0.952555D-01  0.616662D+01 -0.495091D+01  0.619167D+01 -0.100567D+02
                66            67            68            69            70 
      1   0.166775D+01 -0.660617D+00  0.869700D+01 -0.224114D+01 -0.709644D+00
      2   0.193379D+02  0.711550D+00  0.241946D+01  0.838458D-01  0.861141D+01
      3   0.343542D+01 -0.210207D+01 -0.178159D+02 -0.359712D+01  0.182741D+01
                71            72            73            74            75 
      1   0.492786D+01 -0.329355D+01  0.271899D+01 -0.247196D+01  0.626134D+00
      2   0.119917D+01 -0.143603D+02 -0.124598D+02 -0.482089D+01  0.140264D+02
      3  -0.468923D+01 -0.868299D+00  0.583739D+01 -0.712709D+01  0.138743D+01
                76            77            78            79            80 
      1  -0.170712D+00 -0.697277D+01 -0.839013D+01 -0.125288D+01 -0.346480D+01
      2  -0.319937D+01  0.109717D+02 -0.646491D+01  0.892994D+01 -0.441545D+01
      3  -0.990694D+00 -0.125547D+02 -0.110263D+02 -0.628335D+00 -0.105155D+02
                81            82            83            84            85 
      1   0.435881D+01 -0.168439D+00 -0.166147D+01 -0.149460D+01 -0.813664D+00
      2   0.429028D+01  0.513637D+01  0.192822D+00 -0.868842D+01 -0.155627D+01
      3   0.617094D+01 -0.732020D+00  0.992871D+00 -0.557241D+00  0.143937D+01
                86            87            88            89            90 
      1  -0.176951D+00  0.142787D+00 -0.805636D+00  0.267956D+01  0.247135D+01
      2   0.185171D+01  0.110110D+01 -0.803227D+01 -0.176247D+01  0.236114D+02
      3   0.753877D+00 -0.135863D+01 -0.208360D+00 -0.162514D+01  0.342941D+01
                91            92            93            94            95 
      1  -0.214160D+00 -0.102392D+00 -0.732269D+00 -0.315164D+00  0.957356D-02
      2   0.303677D+00  0.216285D+00  0.200574D+01  0.132291D+00  0.274498D+01
      3  -0.389793D+01 -0.262408D+01 -0.260867D+00  0.238594D+01 -0.141290D+02
                96            97            98            99           100 
      1  -0.329664D+01 -0.624758D+00  0.993243D+00 -0.922287D+00 -0.135725D+01
      2   0.308767D+01  0.333573D+00  0.170624D+01  0.163228D+01 -0.429469D+01
      3  -0.310010D+01  0.449845D+00 -0.308141D+01 -0.999492D+00 -0.292483D+01
               101           102           103           104           105 
      1   0.218997D+01 -0.840423D-01  0.106032D+01 -0.287697D+01  0.116861D+01
      2   0.321094D+01 -0.603081D+01  0.302467D+01 -0.640464D+01  0.760230D+01
      3   0.234031D+01 -0.225112D+01  0.293798D+01 -0.442426D+01  0.571275D+01
               106           107           108           109           110 
      1  -0.168922D+00  0.437623D+01 -0.176937D+01 -0.169954D+01 -0.229293D+01
      2  -0.521694D+01  0.620353D+01 -0.136432D+02  0.104259D+02  0.158170D+01
      3  -0.129254D+01  0.479257D+01 -0.589560D+01 -0.936478D+00 -0.598735D+01
               111           112           113           114           115 
      1  -0.747158D+00 -0.183944D+01 -0.480774D-01 -0.287384D+00 -0.255204D-02
      2   0.535818D+01  0.194615D+01 -0.192170D-01  0.176532D+01  0.781734D+00
      3   0.170523D+00 -0.260509D+01 -0.657764D+00  0.137561D+01  0.149919D+00
               116           117           118           119           120 
      1   0.829122D+00 -0.536505D+00  0.178445D+01  0.823526D+00 -0.431790D+00
      2   0.633265D+00  0.107334D+01 -0.111883D+01 -0.917467D+00 -0.140161D+01
      3   0.126004D+01 -0.631590D+00  0.311206D+01  0.100984D+01 -0.100559D+00
               121           122           123           124           125 
      1   0.263918D+00  0.104012D+02  0.938605D+00 -0.413452D+00  0.405732D+01
      2  -0.136677D+01 -0.605175D+01 -0.524806D+01 -0.158003D+01 -0.242874D+01
      3   0.221260D+01  0.161423D+02  0.582438D+01 -0.778289D+00  0.412768D+01
               126           127           128           129           130 
      1   0.165624D+01  0.397348D+00 -0.471304D+00  0.240621D+01  0.595390D-01
      2  -0.407610D+01  0.123682D+01 -0.221378D+00  0.923470D+00 -0.697363D+00
      3   0.296282D+01 -0.110297D+02  0.410226D+01 -0.466100D-01  0.737521D+01
               131           132           133           134           135 
      1   0.150229D+00 -0.301778D+01  0.202726D-01  0.200436D+01 -0.834354D-02
      2   0.582233D+00 -0.145664D+01 -0.184871D+01  0.123093D+00 -0.303736D+00
      3  -0.601469D+01 -0.753767D+00 -0.729402D+00 -0.932378D+00 -0.202872D+00
               136           137           138           139           140 
      1  -0.454899D-01  0.628988D-01 -0.157722D+01 -0.955351D-01  0.307362D+00
      2   0.355787D-01  0.228147D+00  0.144036D+01  0.262221D+00  0.152260D+01
      3  -0.733831D+00 -0.247674D+01 -0.202858D+00 -0.170953D+01 -0.143292D+02
               141           142           143           144           145 
      1  -0.437259D+01  0.636488D+00  0.160958D+01 -0.369793D+00 -0.484894D-01
      2   0.288848D+01 -0.569232D+00 -0.207904D+00  0.363526D+00  0.498987D+00
      3  -0.147661D+01 -0.587737D-01 -0.184527D+01 -0.318469D+00 -0.960369D+00
               146           147           148           149           150 
      1   0.183652D+00 -0.685327D+00  0.362488D-01  0.474943D-01 -0.398903D+00
      2  -0.857597D-02  0.603554D+01  0.796135D+00  0.188024D+00  0.856531D+00
      3  -0.528423D+01  0.314858D-01 -0.425154D+01 -0.175145D+01 -0.251063D+00
               151           152           153           154           155 
      1   0.508337D+00  0.414726D+00 -0.941609D-02  0.490590D-01 -0.294129D+00
      2  -0.259514D+01 -0.238060D+00  0.142394D+00 -0.149114D+00  0.879575D-01
      3  -0.668110D+00 -0.334101D+00  0.835405D-01  0.159873D+01 -0.474716D+01
               156           157           158           159           160 
      1   0.223811D+01  0.123496D+00  0.131029D+00 -0.324932D+01 -0.690776D+00
      2   0.289346D+01  0.583123D+00 -0.901262D+00 -0.327438D+01 -0.770329D+00
      3  -0.138981D+00 -0.381112D+01  0.113630D+02  0.874490D+00 -0.718779D+00
               161           162           163           164           165 
      1   0.133710D+01 -0.111214D+00  0.196050D+00  0.809184D-01 -0.140742D+01
      2   0.508963D+00 -0.237893D+00 -0.872752D+00 -0.664634D+00  0.231269D+00
      3   0.111763D+01 -0.104082D+00  0.610856D+01  0.396696D+01  0.563441D+00
               166           167           168           169           170 
      1  -0.789537D-01  0.448675D+00 -0.415912D+01  0.600783D+00  0.181728D+01
      2  -0.655290D+00 -0.136146D+01  0.483708D+00 -0.158580D+01 -0.106973D+00
      3   0.723584D+01  0.919149D+01  0.134991D+01  0.130654D+01  0.122273D+01
               171           172           173           174           175 
      1  -0.346482D+00 -0.542687D-01  0.989988D+00 -0.697812D-01  0.124246D+01
      2   0.482889D-01  0.486984D+00  0.133028D+00 -0.133559D+00  0.279200D+00
      3  -0.156191D+00  0.203902D+01 -0.156490D+01 -0.124859D+00  0.759140D+00
               176           177           178           179           180 
      1  -0.102406D+02 -0.256119D+01  0.333287D+00 -0.108785D+01 -0.174757D+01
      2  -0.715496D+00 -0.365340D+01 -0.282747D+00 -0.171331D+01 -0.563348D+00
      3   0.206479D+02 -0.278426D+00  0.920077D+00  0.384129D+01  0.217523D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.279140D+01  0.231845D+02  0.223498D+01 -0.293130D+02  0.390208D+01
      2  -0.222234D+01 -0.149070D+02 -0.147761D+00  0.276409D+02 -0.882830D+01
      3   0.501373D+01 -0.827749D+01 -0.208722D+01  0.167208D+01  0.492622D+01
      4   0.133875D+02  0.497453D+00  0.228571D+00 -0.335781D+01  0.119834D+02
      5   0.896710D+00  0.474093D+00  0.493852D+01 -0.375526D+01  0.476665D+01
      6  -0.757383D+00 -0.111133D+01 -0.586130D+01  0.368271D+01 -0.349539D+01
                 6             7             8             9            10 
      1  -0.172192D+00 -0.360987D+01  0.180808D+01  0.211280D+01  0.142353D+02
      2  -0.255222D+00  0.500992D+01 -0.403108D+01 -0.819533D+01 -0.846432D+01
      3   0.427414D+00 -0.140005D+01  0.222299D+01  0.608253D+01 -0.577094D+01
      4   0.443660D+01 -0.234463D+01  0.515536D+01 -0.171646D+02 -0.238512D+01
      5  -0.100513D+02  0.203201D+02 -0.169423D+02 -0.426725D+01 -0.125709D+01
      6   0.328670D+01 -0.873977D+01  0.120898D+02 -0.578931D+00  0.417437D+00
                11            12            13            14            15 
      1  -0.843998D+01 -0.611124D-01  0.108966D+01  0.110105D+02  0.286483D+01
      2   0.637903D+01 -0.117337D+00 -0.118372D+02 -0.174820D+02 -0.461004D+01
      3   0.206095D+01  0.178450D+00  0.107476D+02  0.647154D+01  0.174521D+01
      4  -0.169637D+02 -0.133021D+01  0.925504D+01 -0.150901D+02 -0.125410D+01
      5  -0.141655D+01 -0.368858D+01  0.111728D+01 -0.150933D+01  0.585199D+00
      6  -0.527275D+00  0.373434D+01 -0.354141D+01 -0.618992D+01  0.526456D+01
                16            17            18            19            20 
      1   0.434972D+00  0.226916D+01 -0.157904D+02 -0.171759D+02 -0.518328D+01
      2  -0.285474D+01 -0.621315D+01  0.365709D+01  0.160721D+01  0.399149D+01
      3   0.241976D+01  0.394399D+01  0.121333D+02  0.155687D+02  0.119179D+01
      4  -0.126826D+01 -0.152897D+01 -0.660744D+01 -0.449685D+01  0.289795D+01
      5   0.651589D+01 -0.510821D+01 -0.178641D+01  0.805440D+00 -0.119949D+01
      6   0.180585D+01  0.167766D+02  0.272364D+01 -0.317409D+01  0.269163D+00
                21            22            23            24            25 
      1  -0.514870D+00  0.121876D+00 -0.118059D+02 -0.601299D+00 -0.235606D+01
      2  -0.848721D+00 -0.371491D+01  0.188178D+02  0.355685D+01 -0.636663D+00
      3   0.136359D+01  0.359303D+01 -0.701186D+01 -0.295555D+01  0.299272D+01
      4  -0.103366D+01 -0.119043D+02 -0.962487D-01  0.259269D+00 -0.265382D+01
      5   0.483444D+01 -0.387150D+01  0.303486D-01 -0.168850D+01  0.687038D+01
      6   0.154885D+01 -0.192624D+01  0.332235D+01 -0.258324D+01  0.260227D+01
                26            27            28            29            30 
      1  -0.169903D+01 -0.592418D+01 -0.219686D+01  0.150613D+02  0.128020D+01
      2   0.296817D+01 -0.639876D+01  0.183487D+01 -0.109537D+02  0.109953D+01
      3  -0.126914D+01  0.123229D+02  0.361989D+00 -0.410750D+01 -0.237973D+01
      4   0.110348D+01  0.290486D+00  0.126329D+02 -0.126804D+02 -0.583818D+00
      5   0.180109D+00 -0.234177D+01 -0.195452D+01 -0.976121D+00 -0.297732D+01
      6   0.358254D+01 -0.135568D+01  0.144930D+01 -0.682232D+00 -0.527543D+01
                31            32            33            34            35 
      1  -0.652374D+01  0.483125D+01  0.201356D+01 -0.246650D+01  0.269152D+01
      2   0.177248D+02 -0.883892D+01 -0.137491D+01  0.544179D+01 -0.393738D+01
      3  -0.112011D+02  0.400767D+01 -0.638648D+00 -0.297529D+01  0.124586D+01
      4   0.498206D+01  0.149004D+02  0.209963D+01  0.181135D+01  0.778122D+00
      5   0.255272D-01  0.217488D+01 -0.194467D+01  0.100750D+01  0.897954D+00
      6   0.532996D+01 -0.280894D+01  0.422908D+01 -0.672768D+01  0.117964D+02
                36            37            38            39            40 
      1  -0.148928D+02  0.114019D+02 -0.196968D+02 -0.137786D+01  0.216531D+02
      2   0.308195D+01 -0.133504D+02  0.123247D+02 -0.349303D+00 -0.190128D+02
      3   0.118109D+02  0.194853D+01  0.737206D+01  0.172716D+01 -0.264029D+01
      4   0.283425D+01 -0.169168D+02 -0.554022D+01 -0.186157D+01  0.104012D+02
      5  -0.945737D+00  0.521440D+00 -0.155382D+01  0.399616D+00 -0.127674D+01
      6  -0.298043D+00 -0.308609D+01 -0.386620D+00  0.378483D+01 -0.255015D+01
                41            42            43            44            45 
      1   0.127439D+02  0.220368D+01  0.235577D+01  0.600985D+00 -0.588303D+01
      2  -0.190423D+02 -0.361615D+01 -0.433007D+01 -0.534724D+01 -0.230337D+01
      3   0.629840D+01  0.141248D+01  0.197429D+01  0.474625D+01  0.818641D+01
      4  -0.752398D+01 -0.369341D+01 -0.198879D+01 -0.563736D+01  0.155852D+02
      5  -0.333217D+01  0.845065D+01  0.123539D+02  0.159237D+02  0.515837D+01
      6  -0.618325D+01  0.553171D+01  0.734842D+01  0.159880D+02  0.224438D+01
                46            47            48            49            50 
      1  -0.150101D+02 -0.521960D+01 -0.250958D+01  0.105222D+02 -0.221159D+02
      2   0.116448D+02  0.397405D+01  0.136187D+01 -0.100917D+02  0.194253D+02
      3   0.336532D+01  0.124556D+01  0.114771D+01 -0.430566D+00  0.269056D+01
      4  -0.204231D+01  0.218919D+02  0.904513D+00 -0.186326D+02 -0.140379D+01
      5  -0.394227D+01  0.521191D+00  0.137409D+02 -0.493797D+01 -0.162398D+01
      6   0.137032D+01  0.295728D+00  0.187076D+01 -0.162672D+01  0.234652D+01
                51            52            53            54            55 
      1  -0.391961D+01 -0.163724D+01 -0.455554D+01  0.159146D+02  0.109388D+02
      2   0.432527D+01 -0.663856D+00  0.351351D+01 -0.179261D+02 -0.261722D+01
      3  -0.405663D+00  0.230110D+01  0.104203D+01  0.201149D+01 -0.832156D+01
      4  -0.135309D+01 -0.677512D+01 -0.821477D+00  0.448493D+01  0.584442D+01
      5   0.273628D+01  0.385430D+02  0.440869D+01  0.279503D+01  0.322106D+01
      6  -0.230474D+01  0.295652D+01  0.422647D+01 -0.187157D+01 -0.361279D-01
                56            57            58            59            60 
      1  -0.678566D-01  0.479811D+00  0.131088D+02  0.799107D+01  0.417230D+01
      2  -0.253268D+00 -0.293609D+01 -0.145592D+02 -0.162581D+02 -0.748921D+01
      3   0.321124D+00  0.245628D+01  0.145042D+01  0.826704D+01  0.331691D+01
      4  -0.725011D+01  0.255025D+01 -0.604559D+01 -0.279513D+02 -0.106124D+02
      5   0.201657D+01 -0.173320D+02  0.102029D+02 -0.903622D+01  0.724520D+01
      6  -0.160758D+01  0.173097D+01 -0.382465D+01 -0.546791D+01  0.511027D+00
                61            62            63            64            65 
      1  -0.219973D+01  0.271854D+01 -0.102845D+02  0.232705D+02  0.751313D+00
      2  -0.418940D+01 -0.313281D+01  0.120195D+02 -0.121582D+02 -0.213029D+01
      3   0.638913D+01  0.414268D+00 -0.173492D+01 -0.111123D+02  0.137898D+01
      4   0.774113D+01 -0.968572D+01  0.220647D+01 -0.662851D+01  0.115749D+02
      5  -0.402309D+02  0.113426D+01  0.794946D+01  0.908170D+01 -0.454220D+01
      6   0.705673D+00 -0.377884D+01  0.110689D+01 -0.373161D+01  0.491646D+01
                66            67            68            69            70 
      1  -0.767769D+01 -0.699598D+01  0.755085D+01 -0.217025D+01 -0.115735D+01
      2  -0.707402D+01  0.746770D+01 -0.121661D+02  0.367408D+00 -0.848157D+01
      3   0.147517D+02 -0.471714D+00  0.461527D+01  0.180284D+01  0.963892D+01
      4  -0.374257D+01  0.124063D+02  0.241845D+02  0.742470D+01 -0.502856D+01
      5   0.272692D+02 -0.632648D+01  0.886881D+01 -0.270863D+01  0.334861D+02
      6  -0.412370D+01  0.613198D+01  0.807504D+01  0.474031D+01 -0.384871D+01
                71            72            73            74            75 
      1   0.939210D+00  0.260081D+02 -0.540222D+02 -0.138848D+02  0.144263D+02
      2  -0.287909D+01 -0.801081D+01  0.258975D+02  0.481717D+01 -0.423947D+00
      3   0.193988D+01 -0.179973D+02  0.281247D+02  0.906764D+01 -0.140023D+02
      4   0.771453D+01 -0.398912D+01 -0.181364D+02  0.534893D+01 -0.142513D+01
      5  -0.112126D+01  0.282735D+01  0.191580D+02  0.165085D+01  0.143040D+02
      6   0.587689D+01 -0.134135D+01  0.711490D+01 -0.527974D+01  0.313902D+01
                76            77            78            79            80 
      1  -0.150738D+02  0.125522D+02 -0.569867D+01  0.140875D+01 -0.819072D+01
      2   0.981310D+01 -0.201638D+01 -0.113051D+01  0.105451D+02  0.391471D-01
      3   0.526074D+01 -0.105358D+02  0.682918D+01 -0.119539D+02  0.815157D+01
      4   0.253348D+01  0.203575D+02  0.152033D+02 -0.352961D+01  0.135686D+02
      5   0.260467D+01  0.116605D+02 -0.570122D+01  0.270130D+02 -0.283138D+01
      6  -0.953354D+00 -0.961336D+01 -0.124202D+02  0.276798D+01 -0.950757D+01
                81            82            83            84            85 
      1   0.188144D+02  0.104529D+01 -0.142021D+00  0.127850D+02  0.275742D+01
      2  -0.141878D+02 -0.245271D+01  0.275875D+00  0.350453D+01 -0.159136D+01
      3  -0.462655D+01  0.140742D+01 -0.133854D+00 -0.162895D+02 -0.116606D+01
      4  -0.469419D+01  0.592644D+00 -0.170140D+01 -0.327520D+00  0.113667D+01
      5  -0.131933D+02  0.166949D+01  0.997822D+00 -0.607340D+01  0.576240D-01
      6   0.854512D+01  0.491847D+00 -0.174651D+01  0.150064D+01 -0.164609D+00
                86            87            88            89            90 
      1  -0.406659D+01 -0.630855D+00  0.947484D+01  0.204439D+01 -0.292417D+02
      2   0.737238D+00 -0.458201D+00 -0.157323D+01 -0.610348D+00 -0.114757D+02
      3   0.332935D+01  0.108906D+01 -0.790160D+01 -0.143404D+01  0.407174D+02
      4  -0.114097D+01  0.297134D+01 -0.215738D+01  0.305431D+01 -0.352183D+00
      5   0.217061D+01  0.107277D+01  0.213679D+01 -0.233179D+01  0.256428D+02
      6  -0.854561D+00  0.670121D+01  0.555635D+00  0.463611D+01 -0.516871D+01
                91            92            93            94            95 
      1   0.148185D+01  0.344987D+01  0.120740D+01  0.622784D+00 -0.136964D+02
      2   0.291256D+01 -0.126032D+00  0.137145D+00  0.392759D+01  0.268527D+02
      3  -0.439441D+01 -0.332383D+01 -0.134454D+01 -0.455037D+01 -0.131563D+02
      4   0.764289D+01  0.106191D+02  0.181837D+01  0.114699D+02  0.315913D+02
      5   0.181767D+01  0.182800D+01  0.505760D+01  0.132020D+01  0.498974D+01
      6   0.222655D+01  0.983085D+00  0.283521D+00  0.120072D+01  0.805139D+01
                96            97            98            99           100 
      1  -0.242821D+01  0.564796D+00 -0.266672D+01 -0.303356D+01 -0.190492D+01
      2   0.386874D+01  0.640813D+00  0.261876D+01  0.203181D+01 -0.759677D+00
      3  -0.144053D+01 -0.120561D+01  0.479638D-01  0.100175D+01  0.266460D+01
      4   0.562548D+01  0.154442D+01  0.587871D+01  0.503527D+01  0.222809D+01
      5   0.688227D+01  0.599296D+01  0.464790D+01  0.324287D+01 -0.237563D+00
      6   0.566695D+01  0.161636D+01  0.809094D+01  0.361547D+01 -0.367722D+01
               101           102           103           104           105 
      1   0.692018D+01 -0.108816D+02  0.671901D+01 -0.116672D+02  0.114103D+02
      2  -0.231292D+01 -0.298518D+00 -0.359690D+01  0.488207D+01  0.106445D+00
      3  -0.460726D+01  0.111802D+02 -0.312211D+01  0.678513D+01 -0.115167D+02
      4  -0.195888D+01  0.148997D+01  0.165753D+01  0.669331D+01 -0.913654D+01
      5  -0.349241D+00 -0.312267D+01 -0.386438D+01 -0.678297D+01  0.960436D+01
      6   0.482585D+01 -0.507579D+01  0.920474D+00 -0.106090D+02  0.133559D+02
               106           107           108           109           110 
      1  -0.588681D+01  0.999399D+01 -0.222300D+02  0.832547D+02  0.957826D+01
      2   0.734388D+00  0.728677D+00 -0.609308D+01 -0.445332D+02 -0.377452D+01
      3   0.515242D+01 -0.107227D+02  0.283231D+02 -0.387214D+02 -0.580374D+01
      4  -0.986700D-01 -0.799729D+01  0.821197D+01  0.165915D+02  0.120125D+02
      5   0.386225D+01  0.662766D+01 -0.155745D+02 -0.338705D+02 -0.406304D+01
      6  -0.163107D+01  0.113842D+02 -0.142832D+02 -0.532588D+01 -0.377046D+01
               111           112           113           114           115 
      1  -0.884987D+01  0.111356D+02  0.683317D+01 -0.150055D-01  0.316236D+01
      2   0.852684D+01 -0.459305D+01 -0.256646D+01  0.132225D+01  0.916261D+00
      3   0.323025D+00 -0.654255D+01 -0.426671D+01 -0.130725D+01 -0.407862D+01
      4  -0.229533D+01  0.147193D+02  0.457643D+01 -0.340957D+01  0.560745D+00
      5   0.156523D+02 -0.611540D+01 -0.467823D+01  0.387745D+01  0.809963D+01
      6   0.161874D+01 -0.381725D+01 -0.902989D+00  0.316186D+01  0.938561D+00
               116           117           118           119           120 
      1   0.118094D+01  0.404256D+01  0.433030D+01 -0.277284D+01 -0.424741D+01
      2   0.459932D+00 -0.322710D+01 -0.134396D+01  0.179235D+01  0.307109D+00
      3  -0.164087D+01 -0.815464D+00 -0.298634D+01  0.980485D+00  0.394031D+01
      4  -0.870037D+00  0.235908D+01 -0.200440D+01  0.141155D+01  0.765943D+00
      5   0.186686D+01 -0.217313D+01 -0.242240D+01  0.192270D+01 -0.735318D+00
      6   0.196617D+01 -0.115766D+01  0.187688D+01  0.860918D+00  0.142594D+00
               121           122           123           124           125 
      1  -0.559187D+01 -0.913236D+01 -0.411853D+01 -0.137721D+01 -0.340929D+01
      2   0.362219D+01  0.805944D+01 -0.179937D+01  0.831000D+00 -0.764744D+00
      3   0.196967D+01  0.107292D+01  0.591790D+01  0.546206D+00  0.417403D+01
      4   0.625909D+01 -0.271384D+02 -0.108759D+02  0.139922D+01 -0.742974D+01
      5   0.771153D+01 -0.929799D+01 -0.116839D+02  0.178487D+01 -0.501411D+01
      6  -0.191823D+01  0.190303D+02  0.111687D+02 -0.109496D+01  0.975556D+01
               126           127           128           129           130 
      1  -0.713450D+01 -0.434257D+01  0.706450D+01  0.796840D+00  0.807306D+01
      2  -0.430532D+00  0.586190D+01 -0.103737D+02 -0.856642D+00 -0.113203D+02
      3   0.756503D+01 -0.151933D+01  0.330923D+01  0.598022D-01  0.324720D+01
      4  -0.538378D+01 -0.858266D+01  0.872059D+01  0.693871D+00  0.865888D+01
      5  -0.617082D+01 -0.793188D-01  0.724042D+00  0.227658D+01  0.439163D+00
      6   0.556094D+01  0.513569D+00 -0.780499D+00 -0.192539D+01 -0.118206D+01
               131           132           133           134           135 
      1  -0.212571D+02 -0.198087D+01  0.104600D+01 -0.159645D+01 -0.368526D+00
      2   0.289474D+02  0.171119D+01 -0.137876D+01  0.211270D+01  0.108896D+01
      3  -0.769029D+01  0.269683D+00  0.332764D+00 -0.516244D+00 -0.720434D+00
      4  -0.919554D+01 -0.468202D+00  0.109295D+01 -0.460592D+00 -0.175115D+01
      5  -0.745018D+00 -0.140110D+01  0.772798D+00 -0.341705D+00 -0.634905D+00
      6   0.257269D+01  0.485276D+01 -0.425628D-01  0.178650D+01  0.759922D+00
               136           137           138           139           140 
      1   0.520591D+01  0.470181D+01  0.533190D+00 -0.174220D+01 -0.174893D+02
      2   0.404583D+01  0.585443D+01  0.256732D+00  0.133470D+02  0.418797D+02
      3  -0.925174D+01 -0.105562D+02 -0.789922D+00 -0.116048D+02 -0.243903D+02
      4   0.191072D+02  0.241003D+02  0.273067D+01  0.252805D+02  0.495463D+02
      5   0.240289D+01  0.267029D+01  0.379438D+01  0.284990D+01  0.520610D+01
      6   0.179261D+01  0.212621D+01  0.227560D+01  0.312850D+01  0.736342D+01
               141           142           143           144           145 
      1  -0.211274D+01 -0.168886D+00 -0.181319D+01 -0.189585D+01  0.101380D+03
      2   0.344342D+01  0.149395D+01  0.411001D+01  0.258472D+01 -0.569560D+02
      3  -0.133069D+01 -0.132507D+01 -0.229681D+01 -0.688868D+00 -0.444239D+02
      4   0.547507D+01  0.313107D+01  0.608767D+01  0.257384D+01  0.161860D+02
      5   0.488097D+01  0.985472D+00  0.202093D+01  0.107268D+01  0.502833D+01
      6   0.752154D+01  0.173344D+01  0.385769D+01  0.173758D+01 -0.995670D+00
               146           147           148           149           150 
      1   0.101886D+02  0.329592D+01  0.899194D+01  0.103837D+02  0.101920D+01
      2  -0.502135D+01 -0.220449D+01 -0.377045D+01 -0.486058D+01 -0.789010D+00
      3  -0.516728D+01 -0.109143D+01 -0.522148D+01 -0.552313D+01 -0.230186D+00
      4   0.994492D+01  0.414413D+00  0.172259D+02  0.527252D+01  0.818348D+00
      5   0.397640D+00  0.999341D+01  0.200013D+01  0.791980D+00  0.130193D+01
      6   0.104825D+00  0.848988D+00  0.440832D+00 -0.732641D-01  0.162923D+01
               151           152           153           154           155 
      1   0.395845D+01  0.103840D+01  0.349213D+01  0.227959D+02 -0.146404D+02
      2  -0.231041D+01 -0.547031D+00 -0.235994D+01 -0.375351D+01 -0.965052D+00
      3  -0.164803D+01 -0.491365D+00 -0.113218D+01 -0.190423D+02  0.156054D+02
      4   0.222374D+01  0.860123D+00  0.676203D+00 -0.350564D+02  0.315506D+02
      5   0.318447D+01  0.391721D+00  0.730576D+00 -0.366189D+01  0.254132D+01
      6   0.225709D+00  0.754530D+00  0.146930D+00  0.136576D+01 -0.115379D+01
               156           157           158           159           160 
      1  -0.147988D+01 -0.916023D+01  0.370466D+01  0.437481D+00 -0.328228D+00
      2   0.560343D+00 -0.757741D+01  0.176254D+02  0.487190D+00 -0.809168D+00
      3   0.919533D+00  0.167376D+02 -0.213301D+02 -0.924671D+00  0.113740D+01
      4   0.229783D+01  0.354690D+02 -0.460681D+02 -0.386305D+01  0.348002D+01
      5   0.569887D+01  0.366684D+01 -0.413892D+01 -0.513103D+01  0.204087D+01
      6  -0.300722D+01 -0.229056D+01  0.304245D+01  0.545632D+01 -0.175685D+01
               161           162           163           164           165 
      1   0.744817D-01 -0.144169D+00 -0.537242D+01 -0.920731D+01 -0.128878D+01
      2   0.149330D+01  0.979793D+00  0.696899D+01  0.115564D+02  0.101387D+01
      3  -0.156778D+01 -0.835624D+00 -0.159657D+01 -0.234906D+01  0.274919D+00
      4  -0.403105D+01 -0.253921D+01  0.357099D+01  0.757918D+01  0.754762D+00
      5  -0.242457D+01 -0.851533D+00  0.475753D+00  0.548125D+00  0.126288D+01
      6   0.265399D+01  0.975512D+00  0.125565D+01  0.202800D+01  0.182238D+01
               166           167           168           169           170 
      1  -0.702034D+01 -0.353869D+02 -0.418051D+01 -0.135945D+01 -0.455285D+01
      2   0.886585D+01  0.484340D+02  0.416282D+01  0.175524D+01  0.552175D+01
      3  -0.184551D+01 -0.130470D+02  0.176830D-01 -0.395792D+00 -0.968894D+00
      4   0.511419D+01 -0.105995D+01 -0.430752D+00  0.785169D+00 -0.493853D-01
      5   0.904728D+00 -0.691919D+00  0.154398D-01 -0.104990D+00  0.639312D+00
      6   0.139781D+01  0.736081D+01  0.692192D+01  0.529304D+00  0.319173D+01
               171           172           173           174           175 
      1  -0.207797D+01  0.518515D+01 -0.213057D+01  0.302356D+01 -0.313165D+01
      2   0.277555D+01 -0.301651D+01  0.949787D-01 -0.209836D+01 -0.122909D+01
      3  -0.697579D+00 -0.216864D+01  0.203559D+01 -0.925196D+00  0.436074D+01
      4   0.127309D+01 -0.189860D+01  0.540153D+01  0.542299D+00  0.965317D+01
      5   0.147513D+00  0.322786D+01  0.399474D+00  0.116715D+01 -0.275280D+01
      6   0.167555D+01  0.909245D+00  0.635801D+00  0.967592D+00  0.244310D+01
               176           177           178           179           180 
      1  -0.652363D+01  0.217962D+01 -0.445816D+00  0.139634D+01 -0.245692D+01
      2   0.196740D+02  0.162659D+01 -0.727875D+00  0.216915D+01  0.141551D+01
      3  -0.131503D+02 -0.380621D+01  0.117369D+01 -0.356550D+01  0.104142D+01
      4  -0.328011D+02  0.166406D+01  0.207502D+01 -0.568925D+01 -0.304910D+01
      5   0.117713D+01 -0.634221D+01  0.164766D+01 -0.298770D+01 -0.746438D+00
      6  -0.123748D+02  0.376896D+01 -0.307999D+00  0.232905D+01 -0.445131D+00
 Leave Link  716 at Thu Aug 12 20:53:58 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136282D+03 -0.363881D+00  0.880842D+00
      2  -0.363881D+00  0.107457D+03  0.259166D+01
      3   0.880842D+00  0.259166D+01  0.764606D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.231108D+00  0.280631D+01  0.187175D+01
      2   0.224540D+00  0.834491D+01 -0.201224D+02
      3  -0.590146D+01 -0.359134D+02 -0.864847D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.709356D+02  0.654273D+00  0.163875D+01
      2  -0.117798D+02  0.312110D+00 -0.608123D+01
      3  -0.591558D+02 -0.966383D+00  0.444249D+01
      4   0.258198D+01  0.746734D+02  0.190486D+02
      5   0.136280D+02  0.192865D+02 -0.491697D+02
      6   0.830732D+01  0.770228D+01 -0.364844D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.353817D+01 -0.711689D+00 -0.370514D+00 -0.563243D+01 -0.131183D+01
      2  -0.711689D+00  0.295086D+01  0.279453D+00 -0.131183D+01 -0.411553D+00
      3  -0.370514D+00  0.279453D+00  0.126110D+01 -0.544658D+00  0.518827D+00
                 6             7             8             9            10 
      1  -0.544658D+00 -0.157047D+01 -0.406002D+00  0.280462D+01  0.726883D+01
      2   0.518827D+00 -0.406002D+00  0.992295D+00 -0.340525D+01  0.249939D+01
      3  -0.158061D+01  0.280462D+01 -0.340525D+01 -0.877124D+00  0.903446D+00
                11            12            13            14            15 
      1   0.249939D+01  0.903446D+00 -0.817238D+01 -0.828855D-01 -0.190875D+00
      2  -0.228792D+01  0.194739D-01 -0.828855D-01 -0.116138D+01  0.684406D+00
      3   0.194739D-01 -0.613347D+00 -0.190875D+00  0.684406D+00 -0.218360D+01
                16            17            18            19            20 
      1  -0.865710D+00  0.686395D+00 -0.138597D+01 -0.207488D+02 -0.117641D+01
      2   0.686395D+00  0.763840D+00 -0.410695D+01 -0.117641D+01 -0.205028D+01
      3  -0.138597D+01 -0.410695D+01 -0.144255D+01 -0.674180D+00  0.117579D+00
                21            22            23            24            25 
      1  -0.674180D+00 -0.205127D+01  0.173005D+01  0.942898D+00 -0.440974D+00
      2   0.117579D+00  0.173005D+01 -0.712280D+00 -0.116609D+00  0.576264D+00
      3  -0.249317D+01  0.942898D+00 -0.116609D+00  0.243255D+00 -0.431770D+01
                26            27            28            29            30 
      1   0.576264D+00 -0.431770D+01  0.505439D+01 -0.677723D+00  0.681298D+00
      2  -0.365128D+00 -0.373833D+00 -0.677723D+00 -0.328891D+01 -0.369830D+00
      3  -0.373833D+00  0.984814D-01  0.681298D+00 -0.369830D+00 -0.110482D+01
                31            32            33            34            35 
      1   0.908155D+01 -0.814997D-01  0.474345D+00  0.145168D+01  0.574833D-01
      2  -0.814997D-01  0.762088D+00 -0.519774D+00  0.574833D-01 -0.852508D+00
      3   0.474345D+00 -0.519774D+00  0.178732D+01 -0.173762D+01  0.325484D+01
                36            37            38            39            40 
      1  -0.173762D+01 -0.597391D+01 -0.691972D+00 -0.695409D+00  0.608473D+01
      2   0.325484D+01 -0.691972D+00  0.180218D+01  0.981562D-02 -0.213965D+00
      3   0.713657D+00 -0.695409D+00  0.981562D-02  0.616811D+00  0.492180D-01
                41            42            43            44            45 
      1  -0.213965D+00  0.492180D-01  0.275807D+00 -0.373614D+00  0.196624D+01
      2   0.788315D+00 -0.683321D+00 -0.373614D+00 -0.732821D+00  0.401509D+01
      3  -0.683321D+00  0.184868D+01  0.196624D+01  0.401509D+01  0.133414D+01
                46            47            48            49            50 
      1   0.697113D+01  0.213632D+00  0.206560D+00  0.546694D-02 -0.334126D+00
      2   0.213632D+00  0.314999D+01  0.809699D-01 -0.334126D+00 -0.702252D-01
      3   0.206560D+00  0.809699D-01  0.240462D+01 -0.953866D+00 -0.765296D-01
                51            52            53            54            55 
      1  -0.953866D+00 -0.794209D-01 -0.682754D+00  0.567734D+01  0.484073D+01
      2  -0.765296D-01 -0.682754D+00 -0.286567D-01  0.646313D+00 -0.896693D-01
      3   0.236177D+00  0.567734D+01  0.646313D+00  0.565162D+00 -0.967612D+00
                56            57            58            59            60 
      1  -0.896693D-01 -0.967612D+00 -0.429688D+01  0.120389D+01 -0.136782D+01
      2  -0.200383D+00 -0.852294D+00  0.120389D+01  0.671844D+01  0.219034D+01
      3  -0.852294D+00  0.341568D+01 -0.136782D+01  0.219034D+01 -0.116964D+01
                61            62            63            64            65 
      1  -0.896507D-01 -0.103212D+01  0.648671D+01 -0.290909D+01  0.926098D+00
      2  -0.103212D+01  0.143373D+01 -0.180986D+00  0.926098D+00  0.139835D+00
      3   0.648671D+01 -0.180986D+00 -0.195692D+01 -0.695626D+00  0.961210D+00
                66            67            68            69            70 
      1  -0.695626D+00  0.372981D+01 -0.963486D+00  0.574864D+00 -0.259494D+01
      2   0.961210D+00 -0.963486D+00 -0.505958D+01 -0.117412D+01  0.670403D+00
      3  -0.475644D+01  0.574864D+00 -0.117412D+01  0.264574D+00 -0.500346D+01
                71            72            73            74            75 
      1   0.670403D+00 -0.500346D+01  0.896879D+01  0.213659D+01 -0.821226D+00
      2  -0.461163D+00  0.884381D-01  0.213659D+01 -0.962922D+00  0.769770D+00
      3   0.884381D-01  0.304958D+01 -0.821226D+00  0.769770D+00 -0.371646D+01
                76            77            78            79            80 
      1   0.347953D+01 -0.675108D+00  0.588116D+00  0.425340D+01  0.921720D+00
      2  -0.675108D+00 -0.373237D+01 -0.343494D+01  0.921720D+00 -0.273773D+01
      3   0.588116D+00 -0.343494D+01  0.209949D+01 -0.485141D+01  0.130175D+01
                81            82            83            84            85 
      1  -0.485141D+01  0.956934D-01 -0.121717D+00 -0.723099D+00 -0.781760D+00
      2   0.130175D+01 -0.121717D+00  0.281190D+00 -0.257240D+00 -0.711452D-01
      3   0.702299D+00 -0.723099D+00 -0.257240D+00  0.312187D+01  0.608934D-01
                86            87            88            89            90 
      1  -0.711452D-01  0.608934D-01 -0.165828D+01  0.104455D+00  0.846178D+00
      2   0.139831D+00 -0.916283D+00  0.104455D+00 -0.108371D+01  0.630160D+00
      3  -0.916283D+00 -0.461206D+00  0.846178D+00  0.630160D+00 -0.849269D+01
                91            92            93            94            95 
      1  -0.126233D+00 -0.129779D+01 -0.243108D+00 -0.224472D+01 -0.167663D+01
      2  -0.129779D+01 -0.104604D+01 -0.181250D+00 -0.167663D+01 -0.736091D+01
      3  -0.243108D+00 -0.181250D+00 -0.712730D+00 -0.150825D+00 -0.128506D+01
                96            97            98            99           100 
      1  -0.150825D+00 -0.108230D+00 -0.143248D+00 -0.101331D+01  0.162116D+00
      2  -0.128506D+01 -0.143248D+00 -0.142507D+01 -0.118576D+01 -0.822429D+00
      3  -0.158184D+01 -0.101331D+01 -0.118576D+01 -0.876600D+00  0.872540D+00
               101           102           103           104           105 
      1  -0.822429D+00  0.872540D+00 -0.124752D+01  0.205396D+00 -0.992023D-01
      2   0.866787D+00 -0.830255D+00  0.205396D+00 -0.194725D+01  0.231728D+01
      3  -0.830255D+00  0.236474D+01 -0.992023D-01  0.231728D+01 -0.296783D+01
               106           107           108           109           110 
      1   0.543230D+00 -0.286371D+00  0.510182D+00 -0.139736D+02 -0.167022D+01
      2  -0.286371D+00  0.193414D+01 -0.218382D+01 -0.167022D+01 -0.115296D+01
      3   0.510182D+00 -0.218382D+01  0.525001D+01  0.225519D+01  0.224359D+00
               111           112           113           114           115 
      1   0.225519D+01 -0.244144D+01 -0.157067D+01  0.485148D+00 -0.594020D+00
      2   0.224359D+00 -0.157067D+01 -0.433492D+00  0.576871D+00 -0.573934D-01
      3  -0.163759D+01  0.485148D+00  0.576871D+00 -0.654647D+00 -0.645272D+00
               116           117           118           119           120 
      1  -0.573934D-01 -0.645272D+00 -0.386724D+00  0.628394D+00  0.184714D+00
      2   0.972351D-01 -0.324371D+00  0.628394D+00  0.216389D+00 -0.151107D-01
      3  -0.324371D+00  0.693711D-01  0.184714D+00 -0.151107D-01  0.752258D+00
               121           122           123           124           125 
      1   0.183312D+01 -0.570922D+00 -0.831637D+00  0.163172D+00 -0.259719D+00
      2  -0.570922D+00  0.541464D+01  0.220764D+01 -0.259719D+00  0.153556D+01
      3  -0.831637D+00  0.220764D+01  0.244552D+01  0.107908D+00  0.113829D+01
               126           127           128           129           130 
      1   0.107908D+00 -0.367427D+01  0.225680D+01  0.834703D-01  0.280396D+01
      2   0.113829D+01  0.225680D+01 -0.253585D+01 -0.182291D+00 -0.293224D+01
      3   0.169209D+01  0.834703D-01 -0.182291D+00 -0.385207D+00 -0.225103D+00
               131           132           133           134           135 
      1  -0.293224D+01 -0.225103D+00  0.213795D+00 -0.347248D+00  0.109209D+00
      2   0.594472D+01  0.459275D+00 -0.347248D+00  0.535258D+00  0.802918D-01
      3   0.459275D+00  0.738135D+00  0.109209D+00  0.802918D-01  0.106866D+00
               136           137           138           139           140 
      1   0.227401D+01  0.270492D+01  0.341740D+00  0.245170D+01  0.404052D+01
      2   0.270492D+01  0.289187D+01  0.363315D+00  0.404052D+01  0.993154D+01
      3   0.341740D+00  0.363315D+00  0.350653D+00  0.516853D+00  0.113202D+01
               141           142           143           144           145 
      1   0.516853D+00  0.598175D+00  0.512824D+00  0.182858D+00  0.134712D+02
      2   0.113202D+01  0.512824D+00  0.120334D+01  0.283509D+00  0.147760D+01
      3   0.100166D+01  0.182858D+00  0.283509D+00  0.171057D+00  0.509570D+00
               146           147           148           149           150 
      1   0.147760D+01  0.509570D+00  0.143299D+01  0.180546D+01  0.230652D+00
      2   0.945660D+00  0.463827D-01  0.180546D+01  0.545766D+00  0.897234D-01
      3   0.463827D-01  0.908969D+00  0.230652D+00  0.897234D-01  0.139048D+00
               151           152           153           154           155 
      1   0.502346D+00  0.227684D+00  0.532956D-01  0.530706D+01 -0.410274D+01
      2   0.227684D+00  0.495375D-01  0.368016D-01 -0.410274D+01  0.367373D+01
      3   0.532956D-01  0.368016D-01  0.527012D-01 -0.325423D+00  0.253521D+00
               156           157           158           159           160 
      1  -0.325423D+00 -0.405623D+01  0.471298D+01  0.433866D+00 -0.358153D+00
      2   0.253521D+00  0.471298D+01 -0.685264D+01 -0.594068D+00  0.453300D+00
      3   0.570002D+00  0.433866D+00 -0.594068D+00 -0.799896D+00  0.210151D+00
               161           162           163           164           165 
      1   0.453300D+00  0.210151D+00 -0.151752D+01 -0.173315D+01 -0.237182D+00
      2  -0.753383D+00 -0.143517D+00 -0.173315D+01 -0.231073D+01 -0.302193D+00
      3  -0.143517D+00 -0.747989D-01 -0.237182D+00 -0.302193D+00 -0.213943D+00
               166           167           168           169           170 
      1  -0.175784D+01 -0.190033D+01 -0.305806D+00  0.105511D+00 -0.358115D+00
      2  -0.190033D+01 -0.912617D+01 -0.101978D+01 -0.358115D+00 -0.115106D+01
      3  -0.305806D+00 -0.101978D+01 -0.956658D+00  0.157836D+00 -0.272935D+00
               171           172           173           174           175 
      1   0.157836D+00 -0.156566D+01  0.252091D+00 -0.285152D+00  0.177962D+01
      2  -0.272935D+00  0.252091D+00 -0.108250D+01 -0.135388D+00 -0.131346D+01
      3  -0.129955D+00 -0.285152D+00 -0.135388D+00 -0.132998D+00  0.312940D+00
               176           177           178           179           180 
      1  -0.131346D+01  0.312940D+00  0.252722D+00 -0.263947D+00 -0.157776D+00
      2   0.662252D+01 -0.355901D+00 -0.263947D+00  0.104629D+01  0.701940D+00
      3  -0.355901D+00  0.155207D+01 -0.157776D+00  0.701940D+00  0.452246D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.154614D+01 -0.380287D+00  0.174316D+01 -0.165265D+01 -0.492711D+00
      2   0.267454D+00  0.896830D+00  0.262217D+01 -0.242820D+00  0.194306D+01
      3   0.794151D+01 -0.978818D+01 -0.136409D+00  0.996864D+01  0.183230D+01
                 6             7             8             9            10 
      1  -0.156065D+01  0.672581D+01  0.401952D+01  0.567024D+00  0.156438D+01
      2  -0.450594D+01 -0.324808D+01 -0.107284D+02 -0.205821D+01  0.282557D+00
      3  -0.358460D+00  0.982427D+00 -0.153700D+01  0.565942D+01 -0.108327D+02
                11            12            13            14            15 
      1   0.613502D+00 -0.115585D+01  0.393316D+00  0.404246D+00 -0.231436D+01
      2   0.888186D+00 -0.955946D+00  0.262333D+01 -0.307143D+00 -0.964543D+00
      3  -0.441400D+01 -0.171821D+01  0.348253D+01  0.658678D+01 -0.283948D+00
                16            17            18            19            20 
      1  -0.527125D+01  0.729143D+00 -0.412336D+00 -0.203508D+01 -0.224470D+00
      2  -0.125512D+02 -0.229886D+01 -0.118532D+01 -0.308000D+01 -0.208369D-01
      3  -0.163349D+00 -0.671768D+00  0.621061D+01  0.704589D+01  0.777943D+01
                21            22            23            24            25 
      1  -0.368014D-01 -0.149592D+01 -0.196920D+01  0.504343D+00 -0.110354D+01
      2  -0.185782D+01 -0.138333D+01  0.802060D+00 -0.114031D+01 -0.187099D+02
      3   0.107797D+01  0.223245D+02  0.130680D+01  0.671004D+00 -0.117611D+01
                26            27            28            29            30 
      1   0.102752D+02  0.163888D+01  0.475876D+00 -0.389164D+00  0.207345D+01
      2   0.252370D+00 -0.268607D+01  0.190328D+00  0.212094D+00 -0.105816D+01
      3   0.109247D+00  0.857718D+00 -0.360306D+01  0.824739D+00  0.193422D+00
                31            32            33            34            35 
      1   0.846446D+00  0.174105D+00 -0.135071D+01  0.764558D+01  0.341990D+01
      2   0.163948D+01  0.210216D+00  0.127409D+01 -0.128174D+02  0.848860D+00
      3  -0.432046D+01 -0.730434D+01 -0.740160D+00 -0.150105D+01  0.608466D+00
                36            37            38            39            40 
      1   0.439021D+00 -0.670068D+00  0.957247D+00 -0.190980D+01  0.652643D+00
      2   0.583490D+00  0.313849D+00  0.107317D+01  0.852456D+00  0.443903D+00
      3  -0.678983D+01  0.648379D+01 -0.151577D+02 -0.135572D+01  0.410714D+01
                41            42            43            44            45 
      1  -0.175006D-01 -0.255289D+01 -0.577673D+01  0.577775D+00 -0.729675D+00
      2  -0.152353D+01  0.409842D+01 -0.797025D+01  0.954843D+01  0.235176D+01
      3   0.292665D+00  0.118484D+01  0.133552D+01  0.186303D+01 -0.465197D+01
                46            47            48            49            50 
      1   0.759803D+00 -0.361359D+00 -0.543199D+00  0.331330D+00 -0.100970D+01
      2  -0.338082D+00 -0.769350D-01  0.603030D+01 -0.301232D+01 -0.283142D+00
      3  -0.485171D+01 -0.599244D+01 -0.102775D+00  0.114495D+02 -0.387312D+01
                51            52            53            54            55 
      1   0.144137D+01 -0.198250D+01  0.117717D+02  0.161927D+01 -0.444812D+00
      2   0.102898D+01  0.825970D+01  0.272959D+01  0.120709D+01  0.657398D+01
      3  -0.284060D+00  0.104662D+01  0.122471D+00 -0.198038D+01 -0.567222D+01
                56            57            58            59            60 
      1  -0.361539D+00  0.120444D+00  0.167334D+01  0.173776D+01 -0.267303D+01
      2   0.140231D+01 -0.340077D+01 -0.328505D+00 -0.566840D+01  0.243773D+01
      3   0.473183D+00 -0.115739D+01  0.122539D+02  0.145548D+02  0.694946D+01
                61            62            63            64            65 
      1   0.214832D+01  0.244401D+01 -0.120016D+01  0.337796D+00  0.310931D+01
      2  -0.172801D+02  0.329027D+00  0.337650D+01 -0.299967D+01 -0.209693D+01
      3  -0.952555D-01  0.616662D+01 -0.495091D+01  0.619167D+01 -0.100567D+02
                66            67            68            69            70 
      1   0.166775D+01 -0.660617D+00  0.869700D+01 -0.224114D+01 -0.709644D+00
      2   0.193379D+02  0.711550D+00  0.241946D+01  0.838458D-01  0.861141D+01
      3   0.343542D+01 -0.210207D+01 -0.178159D+02 -0.359712D+01  0.182741D+01
                71            72            73            74            75 
      1   0.492786D+01 -0.329355D+01  0.271899D+01 -0.247196D+01  0.626134D+00
      2   0.119917D+01 -0.143603D+02 -0.124598D+02 -0.482089D+01  0.140264D+02
      3  -0.468923D+01 -0.868299D+00  0.583739D+01 -0.712709D+01  0.138743D+01
                76            77            78            79            80 
      1  -0.170712D+00 -0.697277D+01 -0.839013D+01 -0.125288D+01 -0.346480D+01
      2  -0.319937D+01  0.109717D+02 -0.646491D+01  0.892994D+01 -0.441545D+01
      3  -0.990694D+00 -0.125547D+02 -0.110263D+02 -0.628335D+00 -0.105155D+02
                81            82            83            84            85 
      1   0.435881D+01 -0.168439D+00 -0.166147D+01 -0.149460D+01 -0.813664D+00
      2   0.429028D+01  0.513637D+01  0.192822D+00 -0.868842D+01 -0.155627D+01
      3   0.617094D+01 -0.732020D+00  0.992871D+00 -0.557241D+00  0.143937D+01
                86            87            88            89            90 
      1  -0.176951D+00  0.142787D+00 -0.805636D+00  0.267956D+01  0.247135D+01
      2   0.185171D+01  0.110110D+01 -0.803227D+01 -0.176247D+01  0.236114D+02
      3   0.753877D+00 -0.135863D+01 -0.208360D+00 -0.162514D+01  0.342941D+01
                91            92            93            94            95 
      1  -0.214160D+00 -0.102392D+00 -0.732269D+00 -0.315164D+00  0.957356D-02
      2   0.303677D+00  0.216285D+00  0.200574D+01  0.132291D+00  0.274498D+01
      3  -0.389793D+01 -0.262408D+01 -0.260867D+00  0.238594D+01 -0.141290D+02
                96            97            98            99           100 
      1  -0.329664D+01 -0.624758D+00  0.993243D+00 -0.922287D+00 -0.135725D+01
      2   0.308767D+01  0.333573D+00  0.170624D+01  0.163228D+01 -0.429469D+01
      3  -0.310010D+01  0.449845D+00 -0.308141D+01 -0.999492D+00 -0.292483D+01
               101           102           103           104           105 
      1   0.218997D+01 -0.840423D-01  0.106032D+01 -0.287697D+01  0.116861D+01
      2   0.321094D+01 -0.603081D+01  0.302467D+01 -0.640464D+01  0.760230D+01
      3   0.234031D+01 -0.225112D+01  0.293798D+01 -0.442426D+01  0.571275D+01
               106           107           108           109           110 
      1  -0.168922D+00  0.437623D+01 -0.176937D+01 -0.169954D+01 -0.229293D+01
      2  -0.521694D+01  0.620353D+01 -0.136432D+02  0.104259D+02  0.158170D+01
      3  -0.129254D+01  0.479257D+01 -0.589560D+01 -0.936478D+00 -0.598735D+01
               111           112           113           114           115 
      1  -0.747158D+00 -0.183944D+01 -0.480774D-01 -0.287384D+00 -0.255204D-02
      2   0.535818D+01  0.194615D+01 -0.192170D-01  0.176532D+01  0.781734D+00
      3   0.170523D+00 -0.260509D+01 -0.657764D+00  0.137561D+01  0.149919D+00
               116           117           118           119           120 
      1   0.829122D+00 -0.536505D+00  0.178445D+01  0.823526D+00 -0.431790D+00
      2   0.633265D+00  0.107334D+01 -0.111883D+01 -0.917467D+00 -0.140161D+01
      3   0.126004D+01 -0.631590D+00  0.311206D+01  0.100984D+01 -0.100559D+00
               121           122           123           124           125 
      1   0.263918D+00  0.104012D+02  0.938605D+00 -0.413452D+00  0.405732D+01
      2  -0.136677D+01 -0.605175D+01 -0.524806D+01 -0.158003D+01 -0.242874D+01
      3   0.221260D+01  0.161423D+02  0.582438D+01 -0.778289D+00  0.412768D+01
               126           127           128           129           130 
      1   0.165624D+01  0.397348D+00 -0.471304D+00  0.240621D+01  0.595390D-01
      2  -0.407610D+01  0.123682D+01 -0.221378D+00  0.923470D+00 -0.697363D+00
      3   0.296282D+01 -0.110297D+02  0.410226D+01 -0.466100D-01  0.737521D+01
               131           132           133           134           135 
      1   0.150229D+00 -0.301778D+01  0.202726D-01  0.200436D+01 -0.834354D-02
      2   0.582233D+00 -0.145664D+01 -0.184871D+01  0.123093D+00 -0.303736D+00
      3  -0.601469D+01 -0.753767D+00 -0.729402D+00 -0.932378D+00 -0.202872D+00
               136           137           138           139           140 
      1  -0.454899D-01  0.628988D-01 -0.157722D+01 -0.955351D-01  0.307362D+00
      2   0.355787D-01  0.228147D+00  0.144036D+01  0.262221D+00  0.152260D+01
      3  -0.733831D+00 -0.247674D+01 -0.202858D+00 -0.170953D+01 -0.143292D+02
               141           142           143           144           145 
      1  -0.437259D+01  0.636488D+00  0.160958D+01 -0.369793D+00 -0.484894D-01
      2   0.288848D+01 -0.569232D+00 -0.207904D+00  0.363526D+00  0.498987D+00
      3  -0.147661D+01 -0.587737D-01 -0.184527D+01 -0.318469D+00 -0.960369D+00
               146           147           148           149           150 
      1   0.183652D+00 -0.685327D+00  0.362488D-01  0.474943D-01 -0.398903D+00
      2  -0.857597D-02  0.603554D+01  0.796135D+00  0.188024D+00  0.856531D+00
      3  -0.528423D+01  0.314858D-01 -0.425154D+01 -0.175145D+01 -0.251063D+00
               151           152           153           154           155 
      1   0.508337D+00  0.414726D+00 -0.941609D-02  0.490590D-01 -0.294129D+00
      2  -0.259514D+01 -0.238060D+00  0.142394D+00 -0.149114D+00  0.879575D-01
      3  -0.668110D+00 -0.334101D+00  0.835405D-01  0.159873D+01 -0.474716D+01
               156           157           158           159           160 
      1   0.223811D+01  0.123496D+00  0.131029D+00 -0.324932D+01 -0.690776D+00
      2   0.289346D+01  0.583123D+00 -0.901262D+00 -0.327438D+01 -0.770329D+00
      3  -0.138981D+00 -0.381112D+01  0.113630D+02  0.874490D+00 -0.718779D+00
               161           162           163           164           165 
      1   0.133710D+01 -0.111214D+00  0.196050D+00  0.809184D-01 -0.140742D+01
      2   0.508963D+00 -0.237893D+00 -0.872752D+00 -0.664634D+00  0.231269D+00
      3   0.111763D+01 -0.104082D+00  0.610856D+01  0.396696D+01  0.563441D+00
               166           167           168           169           170 
      1  -0.789537D-01  0.448675D+00 -0.415912D+01  0.600783D+00  0.181728D+01
      2  -0.655290D+00 -0.136146D+01  0.483708D+00 -0.158580D+01 -0.106973D+00
      3   0.723584D+01  0.919149D+01  0.134991D+01  0.130654D+01  0.122273D+01
               171           172           173           174           175 
      1  -0.346482D+00 -0.542687D-01  0.989988D+00 -0.697812D-01  0.124246D+01
      2   0.482889D-01  0.486984D+00  0.133028D+00 -0.133559D+00  0.279200D+00
      3  -0.156191D+00  0.203902D+01 -0.156490D+01 -0.124859D+00  0.759140D+00
               176           177           178           179           180 
      1  -0.102406D+02 -0.256119D+01  0.333287D+00 -0.108785D+01 -0.174757D+01
      2  -0.715496D+00 -0.365340D+01 -0.282747D+00 -0.171331D+01 -0.563348D+00
      3   0.206479D+02 -0.278426D+00  0.920077D+00  0.384129D+01  0.217523D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.279140D+01  0.231845D+02  0.223498D+01 -0.293130D+02  0.390208D+01
      2  -0.222234D+01 -0.149070D+02 -0.147761D+00  0.276409D+02 -0.882830D+01
      3   0.501373D+01 -0.827749D+01 -0.208722D+01  0.167208D+01  0.492622D+01
      4   0.133875D+02  0.497453D+00  0.228571D+00 -0.335781D+01  0.119834D+02
      5   0.896710D+00  0.474093D+00  0.493852D+01 -0.375526D+01  0.476665D+01
      6  -0.757383D+00 -0.111133D+01 -0.586130D+01  0.368271D+01 -0.349539D+01
                 6             7             8             9            10 
      1  -0.172192D+00 -0.360987D+01  0.180808D+01  0.211280D+01  0.142353D+02
      2  -0.255222D+00  0.500992D+01 -0.403108D+01 -0.819533D+01 -0.846432D+01
      3   0.427414D+00 -0.140005D+01  0.222299D+01  0.608253D+01 -0.577094D+01
      4   0.443660D+01 -0.234463D+01  0.515536D+01 -0.171646D+02 -0.238512D+01
      5  -0.100513D+02  0.203201D+02 -0.169423D+02 -0.426725D+01 -0.125709D+01
      6   0.328670D+01 -0.873977D+01  0.120898D+02 -0.578931D+00  0.417437D+00
                11            12            13            14            15 
      1  -0.843998D+01 -0.611124D-01  0.108966D+01  0.110105D+02  0.286483D+01
      2   0.637903D+01 -0.117337D+00 -0.118372D+02 -0.174820D+02 -0.461004D+01
      3   0.206095D+01  0.178450D+00  0.107476D+02  0.647154D+01  0.174521D+01
      4  -0.169637D+02 -0.133021D+01  0.925504D+01 -0.150901D+02 -0.125410D+01
      5  -0.141655D+01 -0.368858D+01  0.111728D+01 -0.150933D+01  0.585199D+00
      6  -0.527275D+00  0.373434D+01 -0.354141D+01 -0.618992D+01  0.526456D+01
                16            17            18            19            20 
      1   0.434972D+00  0.226916D+01 -0.157904D+02 -0.171759D+02 -0.518328D+01
      2  -0.285474D+01 -0.621315D+01  0.365709D+01  0.160721D+01  0.399149D+01
      3   0.241976D+01  0.394399D+01  0.121333D+02  0.155687D+02  0.119179D+01
      4  -0.126826D+01 -0.152897D+01 -0.660744D+01 -0.449685D+01  0.289795D+01
      5   0.651589D+01 -0.510821D+01 -0.178641D+01  0.805440D+00 -0.119949D+01
      6   0.180585D+01  0.167766D+02  0.272364D+01 -0.317409D+01  0.269163D+00
                21            22            23            24            25 
      1  -0.514870D+00  0.121876D+00 -0.118059D+02 -0.601299D+00 -0.235606D+01
      2  -0.848721D+00 -0.371491D+01  0.188178D+02  0.355685D+01 -0.636663D+00
      3   0.136359D+01  0.359303D+01 -0.701186D+01 -0.295555D+01  0.299272D+01
      4  -0.103366D+01 -0.119043D+02 -0.962487D-01  0.259269D+00 -0.265382D+01
      5   0.483444D+01 -0.387150D+01  0.303486D-01 -0.168850D+01  0.687038D+01
      6   0.154885D+01 -0.192624D+01  0.332235D+01 -0.258324D+01  0.260227D+01
                26            27            28            29            30 
      1  -0.169903D+01 -0.592418D+01 -0.219686D+01  0.150613D+02  0.128020D+01
      2   0.296817D+01 -0.639876D+01  0.183487D+01 -0.109537D+02  0.109953D+01
      3  -0.126914D+01  0.123229D+02  0.361989D+00 -0.410750D+01 -0.237973D+01
      4   0.110348D+01  0.290486D+00  0.126329D+02 -0.126804D+02 -0.583818D+00
      5   0.180109D+00 -0.234177D+01 -0.195452D+01 -0.976121D+00 -0.297732D+01
      6   0.358254D+01 -0.135568D+01  0.144930D+01 -0.682232D+00 -0.527543D+01
                31            32            33            34            35 
      1  -0.652374D+01  0.483125D+01  0.201356D+01 -0.246650D+01  0.269152D+01
      2   0.177248D+02 -0.883892D+01 -0.137491D+01  0.544179D+01 -0.393738D+01
      3  -0.112011D+02  0.400767D+01 -0.638648D+00 -0.297529D+01  0.124586D+01
      4   0.498206D+01  0.149004D+02  0.209963D+01  0.181135D+01  0.778122D+00
      5   0.255272D-01  0.217488D+01 -0.194467D+01  0.100750D+01  0.897954D+00
      6   0.532996D+01 -0.280894D+01  0.422908D+01 -0.672768D+01  0.117964D+02
                36            37            38            39            40 
      1  -0.148928D+02  0.114019D+02 -0.196968D+02 -0.137786D+01  0.216531D+02
      2   0.308195D+01 -0.133504D+02  0.123247D+02 -0.349303D+00 -0.190128D+02
      3   0.118109D+02  0.194853D+01  0.737206D+01  0.172716D+01 -0.264029D+01
      4   0.283425D+01 -0.169168D+02 -0.554022D+01 -0.186157D+01  0.104012D+02
      5  -0.945737D+00  0.521440D+00 -0.155382D+01  0.399616D+00 -0.127674D+01
      6  -0.298043D+00 -0.308609D+01 -0.386620D+00  0.378483D+01 -0.255015D+01
                41            42            43            44            45 
      1   0.127439D+02  0.220368D+01  0.235577D+01  0.600985D+00 -0.588303D+01
      2  -0.190423D+02 -0.361615D+01 -0.433007D+01 -0.534724D+01 -0.230337D+01
      3   0.629840D+01  0.141248D+01  0.197429D+01  0.474625D+01  0.818641D+01
      4  -0.752398D+01 -0.369341D+01 -0.198879D+01 -0.563736D+01  0.155852D+02
      5  -0.333217D+01  0.845065D+01  0.123539D+02  0.159237D+02  0.515837D+01
      6  -0.618325D+01  0.553171D+01  0.734842D+01  0.159880D+02  0.224438D+01
                46            47            48            49            50 
      1  -0.150101D+02 -0.521960D+01 -0.250958D+01  0.105222D+02 -0.221159D+02
      2   0.116448D+02  0.397405D+01  0.136187D+01 -0.100917D+02  0.194253D+02
      3   0.336532D+01  0.124556D+01  0.114771D+01 -0.430566D+00  0.269056D+01
      4  -0.204231D+01  0.218919D+02  0.904513D+00 -0.186326D+02 -0.140379D+01
      5  -0.394227D+01  0.521191D+00  0.137409D+02 -0.493797D+01 -0.162398D+01
      6   0.137032D+01  0.295728D+00  0.187076D+01 -0.162672D+01  0.234652D+01
                51            52            53            54            55 
      1  -0.391961D+01 -0.163724D+01 -0.455554D+01  0.159146D+02  0.109388D+02
      2   0.432527D+01 -0.663856D+00  0.351351D+01 -0.179261D+02 -0.261722D+01
      3  -0.405663D+00  0.230110D+01  0.104203D+01  0.201149D+01 -0.832156D+01
      4  -0.135309D+01 -0.677512D+01 -0.821477D+00  0.448493D+01  0.584442D+01
      5   0.273628D+01  0.385430D+02  0.440869D+01  0.279503D+01  0.322106D+01
      6  -0.230474D+01  0.295652D+01  0.422647D+01 -0.187157D+01 -0.361279D-01
                56            57            58            59            60 
      1  -0.678566D-01  0.479811D+00  0.131088D+02  0.799107D+01  0.417230D+01
      2  -0.253268D+00 -0.293609D+01 -0.145592D+02 -0.162581D+02 -0.748921D+01
      3   0.321124D+00  0.245628D+01  0.145042D+01  0.826704D+01  0.331691D+01
      4  -0.725011D+01  0.255025D+01 -0.604559D+01 -0.279513D+02 -0.106124D+02
      5   0.201657D+01 -0.173320D+02  0.102029D+02 -0.903622D+01  0.724520D+01
      6  -0.160758D+01  0.173097D+01 -0.382465D+01 -0.546791D+01  0.511027D+00
                61            62            63            64            65 
      1  -0.219973D+01  0.271854D+01 -0.102845D+02  0.232705D+02  0.751313D+00
      2  -0.418940D+01 -0.313281D+01  0.120195D+02 -0.121582D+02 -0.213029D+01
      3   0.638913D+01  0.414268D+00 -0.173492D+01 -0.111123D+02  0.137898D+01
      4   0.774113D+01 -0.968572D+01  0.220647D+01 -0.662851D+01  0.115749D+02
      5  -0.402309D+02  0.113426D+01  0.794946D+01  0.908170D+01 -0.454220D+01
      6   0.705673D+00 -0.377884D+01  0.110689D+01 -0.373161D+01  0.491646D+01
                66            67            68            69            70 
      1  -0.767769D+01 -0.699598D+01  0.755085D+01 -0.217025D+01 -0.115735D+01
      2  -0.707402D+01  0.746770D+01 -0.121661D+02  0.367408D+00 -0.848157D+01
      3   0.147517D+02 -0.471714D+00  0.461527D+01  0.180284D+01  0.963892D+01
      4  -0.374257D+01  0.124063D+02  0.241845D+02  0.742470D+01 -0.502856D+01
      5   0.272692D+02 -0.632648D+01  0.886881D+01 -0.270863D+01  0.334861D+02
      6  -0.412370D+01  0.613198D+01  0.807504D+01  0.474031D+01 -0.384871D+01
                71            72            73            74            75 
      1   0.939210D+00  0.260081D+02 -0.540222D+02 -0.138848D+02  0.144263D+02
      2  -0.287909D+01 -0.801081D+01  0.258975D+02  0.481717D+01 -0.423947D+00
      3   0.193988D+01 -0.179973D+02  0.281247D+02  0.906764D+01 -0.140023D+02
      4   0.771453D+01 -0.398912D+01 -0.181364D+02  0.534893D+01 -0.142513D+01
      5  -0.112126D+01  0.282735D+01  0.191580D+02  0.165085D+01  0.143040D+02
      6   0.587689D+01 -0.134135D+01  0.711490D+01 -0.527974D+01  0.313902D+01
                76            77            78            79            80 
      1  -0.150738D+02  0.125522D+02 -0.569867D+01  0.140875D+01 -0.819072D+01
      2   0.981310D+01 -0.201638D+01 -0.113051D+01  0.105451D+02  0.391471D-01
      3   0.526074D+01 -0.105358D+02  0.682918D+01 -0.119539D+02  0.815157D+01
      4   0.253348D+01  0.203575D+02  0.152033D+02 -0.352961D+01  0.135686D+02
      5   0.260467D+01  0.116605D+02 -0.570122D+01  0.270130D+02 -0.283138D+01
      6  -0.953354D+00 -0.961336D+01 -0.124202D+02  0.276798D+01 -0.950757D+01
                81            82            83            84            85 
      1   0.188144D+02  0.104529D+01 -0.142021D+00  0.127850D+02  0.275742D+01
      2  -0.141878D+02 -0.245271D+01  0.275875D+00  0.350453D+01 -0.159136D+01
      3  -0.462655D+01  0.140742D+01 -0.133854D+00 -0.162895D+02 -0.116606D+01
      4  -0.469419D+01  0.592644D+00 -0.170140D+01 -0.327520D+00  0.113667D+01
      5  -0.131933D+02  0.166949D+01  0.997822D+00 -0.607340D+01  0.576240D-01
      6   0.854512D+01  0.491847D+00 -0.174651D+01  0.150064D+01 -0.164609D+00
                86            87            88            89            90 
      1  -0.406659D+01 -0.630855D+00  0.947484D+01  0.204439D+01 -0.292417D+02
      2   0.737238D+00 -0.458201D+00 -0.157323D+01 -0.610348D+00 -0.114757D+02
      3   0.332935D+01  0.108906D+01 -0.790160D+01 -0.143404D+01  0.407174D+02
      4  -0.114097D+01  0.297134D+01 -0.215738D+01  0.305431D+01 -0.352183D+00
      5   0.217061D+01  0.107277D+01  0.213679D+01 -0.233179D+01  0.256428D+02
      6  -0.854561D+00  0.670121D+01  0.555635D+00  0.463611D+01 -0.516871D+01
                91            92            93            94            95 
      1   0.148185D+01  0.344987D+01  0.120740D+01  0.622784D+00 -0.136964D+02
      2   0.291256D+01 -0.126032D+00  0.137145D+00  0.392759D+01  0.268527D+02
      3  -0.439441D+01 -0.332383D+01 -0.134454D+01 -0.455037D+01 -0.131563D+02
      4   0.764289D+01  0.106191D+02  0.181837D+01  0.114699D+02  0.315913D+02
      5   0.181767D+01  0.182800D+01  0.505760D+01  0.132020D+01  0.498974D+01
      6   0.222655D+01  0.983085D+00  0.283521D+00  0.120072D+01  0.805139D+01
                96            97            98            99           100 
      1  -0.242821D+01  0.564796D+00 -0.266672D+01 -0.303356D+01 -0.190492D+01
      2   0.386874D+01  0.640813D+00  0.261876D+01  0.203181D+01 -0.759677D+00
      3  -0.144053D+01 -0.120561D+01  0.479638D-01  0.100175D+01  0.266460D+01
      4   0.562548D+01  0.154442D+01  0.587871D+01  0.503527D+01  0.222809D+01
      5   0.688227D+01  0.599296D+01  0.464790D+01  0.324287D+01 -0.237563D+00
      6   0.566695D+01  0.161636D+01  0.809094D+01  0.361547D+01 -0.367722D+01
               101           102           103           104           105 
      1   0.692018D+01 -0.108816D+02  0.671901D+01 -0.116672D+02  0.114103D+02
      2  -0.231292D+01 -0.298518D+00 -0.359690D+01  0.488207D+01  0.106445D+00
      3  -0.460726D+01  0.111802D+02 -0.312211D+01  0.678513D+01 -0.115167D+02
      4  -0.195888D+01  0.148997D+01  0.165753D+01  0.669331D+01 -0.913654D+01
      5  -0.349241D+00 -0.312267D+01 -0.386438D+01 -0.678297D+01  0.960436D+01
      6   0.482585D+01 -0.507579D+01  0.920474D+00 -0.106090D+02  0.133559D+02
               106           107           108           109           110 
      1  -0.588681D+01  0.999399D+01 -0.222300D+02  0.832547D+02  0.957826D+01
      2   0.734388D+00  0.728677D+00 -0.609308D+01 -0.445332D+02 -0.377452D+01
      3   0.515242D+01 -0.107227D+02  0.283231D+02 -0.387214D+02 -0.580374D+01
      4  -0.986700D-01 -0.799729D+01  0.821197D+01  0.165915D+02  0.120125D+02
      5   0.386225D+01  0.662766D+01 -0.155745D+02 -0.338705D+02 -0.406304D+01
      6  -0.163107D+01  0.113842D+02 -0.142832D+02 -0.532588D+01 -0.377046D+01
               111           112           113           114           115 
      1  -0.884987D+01  0.111356D+02  0.683317D+01 -0.150055D-01  0.316236D+01
      2   0.852684D+01 -0.459305D+01 -0.256646D+01  0.132225D+01  0.916261D+00
      3   0.323025D+00 -0.654255D+01 -0.426671D+01 -0.130725D+01 -0.407862D+01
      4  -0.229533D+01  0.147193D+02  0.457643D+01 -0.340957D+01  0.560745D+00
      5   0.156523D+02 -0.611540D+01 -0.467823D+01  0.387745D+01  0.809963D+01
      6   0.161874D+01 -0.381725D+01 -0.902989D+00  0.316186D+01  0.938561D+00
               116           117           118           119           120 
      1   0.118094D+01  0.404256D+01  0.433030D+01 -0.277284D+01 -0.424741D+01
      2   0.459932D+00 -0.322710D+01 -0.134396D+01  0.179235D+01  0.307109D+00
      3  -0.164087D+01 -0.815464D+00 -0.298634D+01  0.980485D+00  0.394031D+01
      4  -0.870037D+00  0.235908D+01 -0.200440D+01  0.141155D+01  0.765943D+00
      5   0.186686D+01 -0.217313D+01 -0.242240D+01  0.192270D+01 -0.735318D+00
      6   0.196617D+01 -0.115766D+01  0.187688D+01  0.860918D+00  0.142594D+00
               121           122           123           124           125 
      1  -0.559187D+01 -0.913236D+01 -0.411853D+01 -0.137721D+01 -0.340929D+01
      2   0.362219D+01  0.805944D+01 -0.179937D+01  0.831000D+00 -0.764744D+00
      3   0.196967D+01  0.107292D+01  0.591790D+01  0.546206D+00  0.417403D+01
      4   0.625909D+01 -0.271384D+02 -0.108759D+02  0.139922D+01 -0.742974D+01
      5   0.771153D+01 -0.929799D+01 -0.116839D+02  0.178487D+01 -0.501411D+01
      6  -0.191823D+01  0.190303D+02  0.111687D+02 -0.109496D+01  0.975556D+01
               126           127           128           129           130 
      1  -0.713450D+01 -0.434257D+01  0.706450D+01  0.796840D+00  0.807306D+01
      2  -0.430532D+00  0.586190D+01 -0.103737D+02 -0.856642D+00 -0.113203D+02
      3   0.756503D+01 -0.151933D+01  0.330923D+01  0.598022D-01  0.324720D+01
      4  -0.538378D+01 -0.858266D+01  0.872059D+01  0.693871D+00  0.865888D+01
      5  -0.617082D+01 -0.793188D-01  0.724042D+00  0.227658D+01  0.439163D+00
      6   0.556094D+01  0.513569D+00 -0.780499D+00 -0.192539D+01 -0.118206D+01
               131           132           133           134           135 
      1  -0.212571D+02 -0.198087D+01  0.104600D+01 -0.159645D+01 -0.368526D+00
      2   0.289474D+02  0.171119D+01 -0.137876D+01  0.211270D+01  0.108896D+01
      3  -0.769029D+01  0.269683D+00  0.332764D+00 -0.516244D+00 -0.720434D+00
      4  -0.919554D+01 -0.468202D+00  0.109295D+01 -0.460592D+00 -0.175115D+01
      5  -0.745018D+00 -0.140110D+01  0.772798D+00 -0.341705D+00 -0.634905D+00
      6   0.257269D+01  0.485276D+01 -0.425628D-01  0.178650D+01  0.759922D+00
               136           137           138           139           140 
      1   0.520591D+01  0.470181D+01  0.533190D+00 -0.174220D+01 -0.174893D+02
      2   0.404583D+01  0.585443D+01  0.256732D+00  0.133470D+02  0.418797D+02
      3  -0.925174D+01 -0.105562D+02 -0.789922D+00 -0.116048D+02 -0.243903D+02
      4   0.191072D+02  0.241003D+02  0.273067D+01  0.252805D+02  0.495463D+02
      5   0.240289D+01  0.267029D+01  0.379438D+01  0.284990D+01  0.520610D+01
      6   0.179261D+01  0.212621D+01  0.227560D+01  0.312850D+01  0.736342D+01
               141           142           143           144           145 
      1  -0.211274D+01 -0.168886D+00 -0.181319D+01 -0.189585D+01  0.101380D+03
      2   0.344342D+01  0.149395D+01  0.411001D+01  0.258472D+01 -0.569560D+02
      3  -0.133069D+01 -0.132507D+01 -0.229681D+01 -0.688868D+00 -0.444239D+02
      4   0.547507D+01  0.313107D+01  0.608767D+01  0.257384D+01  0.161860D+02
      5   0.488097D+01  0.985472D+00  0.202093D+01  0.107268D+01  0.502833D+01
      6   0.752154D+01  0.173344D+01  0.385769D+01  0.173758D+01 -0.995670D+00
               146           147           148           149           150 
      1   0.101886D+02  0.329592D+01  0.899194D+01  0.103837D+02  0.101920D+01
      2  -0.502135D+01 -0.220449D+01 -0.377045D+01 -0.486058D+01 -0.789010D+00
      3  -0.516728D+01 -0.109143D+01 -0.522148D+01 -0.552313D+01 -0.230186D+00
      4   0.994492D+01  0.414413D+00  0.172259D+02  0.527252D+01  0.818348D+00
      5   0.397640D+00  0.999341D+01  0.200013D+01  0.791980D+00  0.130193D+01
      6   0.104825D+00  0.848988D+00  0.440832D+00 -0.732641D-01  0.162923D+01
               151           152           153           154           155 
      1   0.395845D+01  0.103840D+01  0.349213D+01  0.227959D+02 -0.146404D+02
      2  -0.231041D+01 -0.547031D+00 -0.235994D+01 -0.375351D+01 -0.965052D+00
      3  -0.164803D+01 -0.491365D+00 -0.113218D+01 -0.190423D+02  0.156054D+02
      4   0.222374D+01  0.860123D+00  0.676203D+00 -0.350564D+02  0.315506D+02
      5   0.318447D+01  0.391721D+00  0.730576D+00 -0.366189D+01  0.254132D+01
      6   0.225709D+00  0.754530D+00  0.146930D+00  0.136576D+01 -0.115379D+01
               156           157           158           159           160 
      1  -0.147988D+01 -0.916023D+01  0.370466D+01  0.437481D+00 -0.328228D+00
      2   0.560343D+00 -0.757741D+01  0.176254D+02  0.487190D+00 -0.809168D+00
      3   0.919533D+00  0.167376D+02 -0.213301D+02 -0.924671D+00  0.113740D+01
      4   0.229783D+01  0.354690D+02 -0.460681D+02 -0.386305D+01  0.348002D+01
      5   0.569887D+01  0.366684D+01 -0.413892D+01 -0.513103D+01  0.204087D+01
      6  -0.300722D+01 -0.229056D+01  0.304245D+01  0.545632D+01 -0.175685D+01
               161           162           163           164           165 
      1   0.744817D-01 -0.144169D+00 -0.537242D+01 -0.920731D+01 -0.128878D+01
      2   0.149330D+01  0.979793D+00  0.696899D+01  0.115564D+02  0.101387D+01
      3  -0.156778D+01 -0.835624D+00 -0.159657D+01 -0.234906D+01  0.274919D+00
      4  -0.403105D+01 -0.253921D+01  0.357099D+01  0.757918D+01  0.754762D+00
      5  -0.242457D+01 -0.851533D+00  0.475753D+00  0.548125D+00  0.126288D+01
      6   0.265399D+01  0.975512D+00  0.125565D+01  0.202800D+01  0.182238D+01
               166           167           168           169           170 
      1  -0.702034D+01 -0.353869D+02 -0.418051D+01 -0.135945D+01 -0.455285D+01
      2   0.886585D+01  0.484340D+02  0.416282D+01  0.175524D+01  0.552175D+01
      3  -0.184551D+01 -0.130470D+02  0.176830D-01 -0.395792D+00 -0.968894D+00
      4   0.511419D+01 -0.105995D+01 -0.430752D+00  0.785169D+00 -0.493853D-01
      5   0.904728D+00 -0.691919D+00  0.154398D-01 -0.104990D+00  0.639312D+00
      6   0.139781D+01  0.736081D+01  0.692192D+01  0.529304D+00  0.319173D+01
               171           172           173           174           175 
      1  -0.207797D+01  0.518515D+01 -0.213057D+01  0.302356D+01 -0.313165D+01
      2   0.277555D+01 -0.301651D+01  0.949787D-01 -0.209836D+01 -0.122909D+01
      3  -0.697579D+00 -0.216864D+01  0.203559D+01 -0.925196D+00  0.436074D+01
      4   0.127309D+01 -0.189860D+01  0.540153D+01  0.542299D+00  0.965317D+01
      5   0.147513D+00  0.322786D+01  0.399474D+00  0.116715D+01 -0.275280D+01
      6   0.167555D+01  0.909245D+00  0.635801D+00  0.967592D+00  0.244310D+01
               176           177           178           179           180 
      1  -0.652363D+01  0.217962D+01 -0.445816D+00  0.139634D+01 -0.245692D+01
      2   0.196740D+02  0.162659D+01 -0.727875D+00  0.216915D+01  0.141551D+01
      3  -0.131503D+02 -0.380621D+01  0.117369D+01 -0.356550D+01  0.104142D+01
      4  -0.328011D+02  0.166406D+01  0.207502D+01 -0.568925D+01 -0.304910D+01
      5   0.117713D+01 -0.634221D+01  0.164766D+01 -0.298770D+01 -0.746438D+00
      6  -0.123748D+02  0.376896D+01 -0.307999D+00  0.232905D+01 -0.445131D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.360882D+00      0.917270D+00      0.305968D+01
   y          0.147143D+00      0.374000D+00      0.124753D+01
   z          0.289654D-01      0.736228D-01      0.245579D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.125906D+03      0.186573D+02      0.207590D+02
   yx        -0.533706D+00     -0.790871D-01     -0.879962D-01
   yy         0.101148D+03      0.149886D+02      0.166770D+02
   zx         0.422352D+00      0.625861D-01      0.696364D-01
   zy         0.265997D+01      0.394167D+00      0.438570D+00
   zz         0.709135D+02      0.105083D+02      0.116920D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.106733D+03      0.158162D+02      0.175979D+02
   aniso      0.520384D+02      0.771129D+01      0.857997D+01
   xx         0.136282D+03      0.201949D+02      0.224698D+02
   yx        -0.363881D+00     -0.539216D-01     -0.599959D-01
   yy         0.107457D+03      0.159234D+02      0.177172D+02
   zx         0.880842D+00      0.130527D+00      0.145231D+00
   zy         0.259166D+01      0.384044D+00      0.427306D+00
   zz         0.764606D+02      0.113303D+02      0.126066D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.65449704         -2.97307924          2.90914220
     6          1.34761485         -2.39847818          0.36234366
     6          0.17708052         -0.16648001         -0.39438172
     6         -0.68420525          1.48842862          1.46956773
     6         -0.38526242          0.92692898          4.01368158
     6          0.78751187         -1.31047979          4.74431314
     6         -0.16572984          0.42570219         -3.18565930
     7          0.83987739          2.88108287         -3.98797758
     6         -2.93996066          0.25136088         -3.96403369
     1          2.63133418          3.11106598         -3.34898154
     1          0.88121588         -1.00928186         -4.24276135
     1         -3.71483254         -1.60132798         -3.50444705
     1         -3.12991415          0.58103997         -5.98901162
     1         -4.06529182          1.66701872         -2.96561715
     1         -1.59500067          3.24169522          0.93110753
     1         -1.06735647          2.23461291          5.43188537
     1          1.02573192         -1.74753345          6.72804857
     1          2.57595635         -4.71597170          3.45629751
     1          2.03153597         -3.70193384         -1.06243110
     1         -0.20178215          4.30960981         -3.24808267

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.390801D+00      0.993318D+00      0.331335D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.779180D+02      0.115463D+02      0.128469D+02
   yx        -0.140298D+02     -0.207899D+01     -0.231319D+01
   yy         0.981200D+02      0.145399D+02      0.161778D+02
   zx         0.555704D+01      0.823468D+00      0.916232D+00
   zy        -0.728247D+01     -0.107915D+01     -0.120072D+01
   zz         0.121929D+03      0.180680D+02      0.201034D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.106733D+03      0.158162D+02      0.175979D+02
   aniso      0.520384D+02      0.771129D+01      0.857997D+01
   xx         0.835121D+02      0.123752D+02      0.137693D+02
   yx        -0.143699D+02     -0.212940D+01     -0.236928D+01
   yy         0.104808D+03      0.155310D+02      0.172805D+02
   zx         0.598710D+01      0.887197D+00      0.987140D+00
   zy        -0.852666D+01     -0.126352D+01     -0.140586D+01
   zz         0.131879D+03      0.195425D+02      0.217439D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-12\Freq\RB3LYP\Gen\C8H11N1\PIERPA\12-Aug-2021\0\\#P B
 3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,
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 IF NO USE IS MADE OF THE LABOR OF PAST AGES,
 THE WORLD MUST REMAIN ALWAYS IN THE INFANCY OF KNOWLEDGE.

                          -- CICERO
 Job cpu time:       0 days  2 hours  2 minutes 47.8 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 22.9 seconds.
 File lengths (MBytes):  RWF=    233 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:53:59 2021.
